N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;1-[4-[3-(4-phenylpiperidin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine

C172H220N12O22S6 — CID 159726835

IUPACN-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;1-[4-[3-(4-phenylpiperidin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine
SMILESCC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(OCCCN2CCC(c3ccccc3)CC2)cc1.CC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(OCCCNC2CCCCC2)cc1.CCCCN(CCCC)CCCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3ccccc23)cc1.CCCN(CCC)CCCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3ccccc23)cc1.COc1ccc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC.COc1ccc(CCNCCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC
InChIInChI=1S/C31H38N2O5S.C31H36N2O3S.C30H36N2O5S.C28H40N2O3S.C26H34N2O3S.C26H36N2O3S/c1-23(2)27-22-33-18-7-6-9-28(33)31(27)39(34,35)26-13-11-25(12-14-26)38-20-8-17-32(3)19-16-24-10-15-29(36-4)30(21-24)37-5;1-24(2)29-23-33-19-7-6-11-30(33)31(29)37(34,35)28-14-12-27(13-15-28)36-22-8-18-32-20-16-26(17-21-32)25-9-4-3-5-10-25;1-22(2)26-21-32-18-6-5-8-27(32)30(26)38(33,34)25-12-10-24(11-13-25)37-19-7-16-31-17-15-23-9-14-28(35-3)29(20-23)36-4;1-5-7-17-29(18-8-6-2)19-11-21-33-24-13-15-25(16-14-24)34(31,32)28-26(23(3)4)22-30-20-10-9-12-27(28)30;1-20(2)24-19-28-17-7-6-11-25(28)26(24)32(29,30)23-14-12-22(13-15-23)31-18-8-16-27-21-9-4-3-5-10-21;1-5-15-27(16-6-2)17-9-19-31-22-11-13-23(14-12-22)32(29,30)26-24(21(3)4)20-28-18-8-7-10-25(26)28/h6-7,9-15,18,21-23H,8,16-17,19-20H2,1-5H3;3-7,9-15,19,23-24,26H,8,16-18,20-22H2,1-2H3;5-6,8-14,18,20-22,31H,7,15-17,19H2,1-4H3;9-10,12-16,20,22-23H,5-8,11,17-19,21H2,1-4H3;6-7,11-15,17,19-21,27H,3-5,8-10,16,18H2,1-2H3;7-8,10-14,18,20-21H,5-6,9,15-17,19H2,1-4H3
InChIKeyNASWRKHSZCISIL-UHFFFAOYSA-N
MW3000.12 g/mol
LogP35.85
Rot. Bonds70

About N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;1-[4-[3-(4-phenylpiperidin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine

N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;1-[4-[3-(4-phenylpiperidin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine (PubChem CID 159726835) has the molecular formula C172H220N12O22S6 and a molecular weight of 3000.12 g/mol. Its IUPAC name is N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;1-[4-[3-(4-phenylpiperidin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine.

Molecular Properties

Compound NameN-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;1-[4-[3-(4-phenylpiperidin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine
PubChem CID159726835
Molecular FormulaC172H220N12O22S6
Molecular Weight3000.12 g/mol
Exact Mass2997.48
IUPAC NameN-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;1-[4-[3-(4-phenylpiperidin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine
SMILESCC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(OCCCN2CCC(c3ccccc3)CC2)cc1.CC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(OCCCNC2CCCCC2)cc1.CCCCN(CCCC)CCCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3ccccc23)cc1.CCCN(CCC)CCCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3ccccc23)cc1.COc1ccc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC.COc1ccc(CCNCCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC
InChIInChI=1S/C31H38N2O5S.C31H36N2O3S.C30H36N2O5S.C28H40N2O3S.C26H34N2O3S.C26H36N2O3S/c1-23(2)27-22-33-18-7-6-9-28(33)31(27)39(34,35)26-13-11-25(12-14-26)38-20-8-17-32(3)19-16-24-10-15-29(36-4)30(21-24)37-5;1-24(2)29-23-33-19-7-6-11-30(33)31(29)37(34,35)28-14-12-27(13-15-28)36-22-8-18-32-20-16-26(17-21-32)25-9-4-3-5-10-25;1-22(2)26-21-32-18-6-5-8-27(32)30(26)38(33,34)25-12-10-24(11-13-25)37-19-7-16-31-17-15-23-9-14-28(35-3)29(20-23)36-4;1-5-7-17-29(18-8-6-2)19-11-21-33-24-13-15-25(16-14-24)34(31,32)28-26(23(3)4)22-30-20-10-9-12-27(28)30;1-20(2)24-19-28-17-7-6-11-25(28)26(24)32(29,30)23-14-12-22(13-15-23)31-18-8-16-27-21-9-4-3-5-10-21;1-5-15-27(16-6-2)17-9-19-31-22-11-13-23(14-12-22)32(29,30)26-24(21(3)4)20-28-18-8-7-10-25(26)28/h6-7,9-15,18,21-23H,8,16-17,19-20H2,1-5H3;3-7,9-15,19,23-24,26H,8,16-18,20-22H2,1-2H3;5-6,8-14,18,20-22,31H,7,15-17,19H2,1-4H3;9-10,12-16,20,22-23H,5-8,11,17-19,21H2,1-4H3;6-7,11-15,17,19-21,27H,3-5,8-10,16,18H2,1-2H3;7-8,10-14,18,20-21H,5-6,9,15-17,19H2,1-4H3
InChIKeyNASWRKHSZCISIL-UHFFFAOYSA-N
XLogP35.85
TPSA360.62 Ų
H-Bond Donors2
H-Bond Acceptors34
Rotatable Bonds70
Heavy Atoms212
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003000.12
LogP ≤ 535.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;1-[4-[3-(4-phenylpiperidin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine
CID 15163120
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine
CID 15163125
3-(benzenesulfonyl)-N-[2-(2,3-dimethoxyphenyl)ethyl]pyrrolidine-1-carboxamide;3-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-1-carboxamide;3-(benzenesulfonyl)-N-[(2,3-dimethoxyphenyl)methyl]pyrrolidine-1-carboxamide;3-(benzenesulfonyl)-N-[2-(3-ethoxyphenyl)ethyl]pyrrolidine-1-carboxamide;3-(benzenesulfonyl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide;bis(3-(benzenesulfonyl)-N-(2-pyridin-2-ylethyl)pyrrolidine-1-carboxamide);3-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)pyrrolidine-1-carboxamide;3-(benzenesulfonyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-1-carboxamide;3-(benzenesulfonyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide
CID 157989037
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrazin-2-ylpyrrolidine-1-carboxamide;N-[2-(2,3-dimethoxyphenyl)ethyl]-3-pyridin-4-ylpyrrolidine-1-carboxamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-ylpyrrolidine-1-carboxamide;N-[(2,3-dimethoxyphenyl)methyl]-3-pyridin-4-ylpyrrolidine-1-carboxamide;N-[2-(3-ethoxyphenyl)ethyl]-3-pyrazin-2-ylpyrrolidine-1-carboxamide;N-[1-(4-methylsulfonylphenyl)ethyl]-3-pyridin-4-ylpyrrolidine-1-carboxamide;N-(2-phenylethyl)-3-pyrazin-2-ylpyrrolidine-1-carboxamide;N-(2-phenylethyl)-3-pyridin-4-ylpyrrolidine-1-carboxamide;3-pyrazin-2-yl-N-(2-pyridin-2-ylethyl)pyrrolidine-1-carboxamide;3-pyrazin-2-yl-N-(2-pyridin-3-ylethyl)pyrrolidine-1-carboxamide;3-pyrazin-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-1-carboxamide;3-pyridin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide
CID 158259454
N-[2-(2,3-dimethoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;N-[(2,3-dimethoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;N-[2-(3-ethoxyphenyl)ethyl]-4-pyridin-4-yloxypiperidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide;N-[(4-phenoxyphenyl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide;N-(2-pyridin-2-ylethyl)-4-pyridin-4-yloxypiperidine-1-carboxamide;N-(2-pyridin-3-ylethyl)-4-pyridin-4-yloxypiperidine-1-carboxamide
CID 158375031
N-[2-(2,3-dimethoxyphenyl)ethyl]-4-(pyridin-3-ylmethyl)piperidine-1-carboxamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(pyridin-3-ylmethyl)piperidine-1-carboxamide;N-[2-(3-ethoxyphenyl)ethyl]-3-pyridin-4-ylpyrrolidine-1-carboxamide;N-[1-(4-methylsulfonylphenyl)ethyl]-4-(pyridin-3-ylmethyl)piperidine-1-carboxamide;N-[(4-phenoxyphenyl)methyl]-3-pyridin-4-ylpyrrolidine-1-carboxamide;N-(2-phenylethyl)-4-(pyridin-3-ylmethyl)piperidine-1-carboxamide;N-(2-pyridin-2-ylethyl)-4-(pyridin-3-ylmethyl)piperidine-1-carboxamide;4-(pyridin-3-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide;3-pyridin-4-yl-N-(2-pyridin-2-ylethyl)pyrrolidine-1-carboxamide;3-pyridin-4-yl-N-(2-pyridin-3-ylethyl)pyrrolidine-1-carboxamide
CID 161668534
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(3-methyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine
CID 14751773
N-[2-(4-methoxy-3-methyl-5-phenylmethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;hydrochloride
CID 19878298
N-[2-(4-methoxy-3-methyl-5-phenylmethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine
CID 19878299
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(12-methyl-5,5-dioxo-12H-thiochromeno[2,3-a]indolizin-2-yl)oxy]propan-1-amine
CID 70310865
N-[2-(3-methoxy-5-methyl-4-phenylmethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine
CID 152759001
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[4-(2-methylsulfonylethoxy)phenyl]methyl]pyrrolidine;3-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-5-methylsulfonylpyridine;3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-5-methylsulfonylpyridine;2-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyrazine;2-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyrazine
CID 157069275

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;1-[4-[3-(4-phenylpiperidin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine?
The IUPAC name of N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;1-[4-[3-(4-phenylpiperidin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine (CID 159726835) is N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;1-[4-[3-(4-phenylpiperidin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine.
What is the SMILES notation for N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;1-[4-[3-(4-phenylpiperidin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine?
The canonical SMILES for N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;1-[4-[3-(4-phenylpiperidin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine is CC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(OCCCN2CCC(c3ccccc3)CC2)cc1.CC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(OCCCNC2CCCCC2)cc1.CCCCN(CCCC)CCCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3ccccc23)cc1.CCCN(CCC)CCCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3ccccc23)cc1.COc1ccc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC.COc1ccc(CCNCCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC.
What is the InChIKey of N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;1-[4-[3-(4-phenylpiperidin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine?
The InChIKey is NASWRKHSZCISIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N2O5S.C31H36N2O3S.C30H36N2O5S.C28H40N2O3S.C26H34N2O3S.C26H36N2O3S/c1-23(2)27-22-33-18-7-6-9-28(33)31(27)39(34,35)26-13-11-25(12-14-26)38-20-8-17-32(3)19-16-24-10-15-29(36-4)30(21-24)37-5;1-24(2)29-23-33-19-7-6-11-30(33)31(29)37(34,35)28-14-12-27(13-15-28)36-22-8-18-32-20-16-26(17-21-32)25-9-4-3-5-10-25;1-22(2)26-21-32-18-6-5-8-27(32)30(26)38(33,34)25-12-10-24(11-13-25)37-19-7-16-31-17-15-23-9-14-28(35-3)29(20-23)36-4;1-5-7-17-29(18-8-6-2)19-11-21-33-24-13-15-25(16-14-24)34(31,32)28-26(23(3)4)22-30-20-10-9-12-27(28)30;1-20(2)24-19-28-17-7-6-11-25(28)26(24)32(29,30)23-14-12-22(13-15-23)31-18-8-16-27-21-9-4-3-5-10-21;1-5-15-27(16-6-2)17-9-19-31-22-11-13-23(14-12-22)32(29,30)26-24(21(3)4)20-28-18-8-7-10-25(26)28/h6-7,9-15,18,21-23H,8,16-17,19-20H2,1-5H3;3-7,9-15,19,23-24,26H,8,16-18,20-22H2,1-2H3;5-6,8-14,18,20-22,31H,7,15-17,19H2,1-4H3;9-10,12-16,20,22-23H,5-8,11,17-19,21H2,1-4H3;6-7,11-15,17,19-21,27H,3-5,8-10,16,18H2,1-2H3;7-8,10-14,18,20-21H,5-6,9,15-17,19H2,1-4H3.
What are the key properties of N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;1-[4-[3-(4-phenylpiperidin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine?
N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;1-[4-[3-(4-phenylpiperidin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine has a molecular weight of 3000.12 g/mol, XLogP of 35.85, 70 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;1-[4-[3-(4-phenylpiperidin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine is sourced from PubChem (CID 159726835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).