N-(1H-benzimidazol-2-yl)-3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanamide;3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-(4,5-dihydro-1H-pyrazol-3-yl)propanamide;3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-4-nitrophenyl)propanamide;2-[3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]benzamide;methyl 2-[3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]benzoate

C142H149Cl5N26O25S5 — CID 159609312

IUPACN-(1H-benzimidazol-2-yl)-3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanamide;3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-(4,5-dihydro-1H-pyrazol-3-yl)propanamide;3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-4-nitrophenyl)propanamide;2-[3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]benzamide;methyl 2-[3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CCN(CCNc1cc(C)nc2ccc(Cl)cc12)S(=O)(=O)c1ccc(OC)cc1.COc1ccc(S(=O)(=O)N(CCNc2cc(C)nc3ccc(Cl)cc23)CCC(=O)NC2=NNCC2)cc1.COc1ccc(S(=O)(=O)N(CCNc2cc(C)nc3ccc(Cl)cc23)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1.COc1ccc(S(=O)(=O)N(CCNc2cc(C)nc3ccc(Cl)cc23)CCC(=O)Nc2ccccc2C(N)=O)cc1.COc1ccc(S(=O)(=O)N(CCNc2cc(C)nc3ccc(Cl)cc23)CCC(=O)Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C30H31ClN4O6S.C29H29ClN6O4S.C29H30ClN5O6S.C29H30ClN5O5S.C25H29ClN6O4S/c1-20-18-28(25-19-21(31)8-13-27(25)33-20)32-15-17-35(42(38,39)23-11-9-22(40-2)10-12-23)16-14-29(36)34-26-7-5-4-6-24(26)30(37)41-3;1-19-17-27(23-18-20(30)7-12-24(23)32-19)31-14-16-36(41(38,39)22-10-8-21(40-2)9-11-22)15-13-28(37)35-29-33-25-5-3-4-6-26(25)34-29;1-19-16-22(35(37)38)5-11-26(19)33-29(36)12-14-34(42(39,40)24-8-6-23(41-3)7-9-24)15-13-31-28-17-20(2)32-27-10-4-21(30)18-25(27)28;1-19-17-27(24-18-20(30)7-12-26(24)33-19)32-14-16-35(41(38,39)22-10-8-21(40-2)9-11-22)15-13-28(36)34-25-6-4-3-5-23(25)29(31)37;1-17-15-23(21-16-18(26)3-8-22(21)29-17)27-12-14-32(13-10-25(33)30-24-9-11-28-31-24)37(34,35)20-6-4-19(36-2)5-7-20/h4-13,18-19H,14-17H2,1-3H3,(H,32,33)(H,34,36);3-12,17-18H,13-16H2,1-2H3,(H,31,32)(H2,33,34,35,37);4-11,16-18H,12-15H2,1-3H3,(H,31,32)(H,33,36);3-12,17-18H,13-16H2,1-2H3,(H2,31,37)(H,32,33)(H,34,36);3-8,15-16,28H,9-14H2,1-2H3,(H,27,29)(H,30,31,33)
InChIKeyMMMACDUEZLGUGJ-UHFFFAOYSA-N
MW2957.51 g/mol
LogP23.45
Rot. Bonds57

About N-(1H-benzimidazol-2-yl)-3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanamide;3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-(4,5-dihydro-1H-pyrazol-3-yl)propanamide;3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-4-nitrophenyl)propanamide;2-[3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]benzamide;methyl 2-[3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]benzoate

N-(1H-benzimidazol-2-yl)-3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanamide;3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-(4,5-dihydro-1H-pyrazol-3-yl)propanamide;3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-4-nitrophenyl)propanamide;2-[3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]benzamide;methyl 2-[3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]benzoate (PubChem CID 159609312) has the molecular formula C142H149Cl5N26O25S5 and a molecular weight of 2957.51 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanamide;3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-(4,5-dihydro-1H-pyrazol-3-yl)propanamide;3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-4-nitrophenyl)propanamide;2-[3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]benzamide;methyl 2-[3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]benzoate.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanamide;3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-(4,5-dihydro-1H-pyrazol-3-yl)propanamide;3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-4-nitrophenyl)propanamide;2-[3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]benzamide;methyl 2-[3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]benzoate
PubChem CID159609312
Molecular FormulaC142H149Cl5N26O25S5
Molecular Weight2957.51 g/mol
Exact Mass2952.82
IUPAC NameN-(1H-benzimidazol-2-yl)-3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanamide;3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-(4,5-dihydro-1H-pyrazol-3-yl)propanamide;3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-4-nitrophenyl)propanamide;2-[3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]benzamide;methyl 2-[3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CCN(CCNc1cc(C)nc2ccc(Cl)cc12)S(=O)(=O)c1ccc(OC)cc1.COc1ccc(S(=O)(=O)N(CCNc2cc(C)nc3ccc(Cl)cc23)CCC(=O)NC2=NNCC2)cc1.COc1ccc(S(=O)(=O)N(CCNc2cc(C)nc3ccc(Cl)cc23)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1.COc1ccc(S(=O)(=O)N(CCNc2cc(C)nc3ccc(Cl)cc23)CCC(=O)Nc2ccccc2C(N)=O)cc1.COc1ccc(S(=O)(=O)N(CCNc2cc(C)nc3ccc(Cl)cc23)CCC(=O)Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C30H31ClN4O6S.C29H29ClN6O4S.C29H30ClN5O6S.C29H30ClN5O5S.C25H29ClN6O4S/c1-20-18-28(25-19-21(31)8-13-27(25)33-20)32-15-17-35(42(38,39)23-11-9-22(40-2)10-12-23)16-14-29(36)34-26-7-5-4-6-24(26)30(37)41-3;1-19-17-27(23-18-20(30)7-12-24(23)32-19)31-14-16-36(41(38,39)22-10-8-21(40-2)9-11-22)15-13-28(37)35-29-33-25-5-3-4-6-26(25)34-29;1-19-16-22(35(37)38)5-11-26(19)33-29(36)12-14-34(42(39,40)24-8-6-23(41-3)7-9-24)15-13-31-28-17-20(2)32-27-10-4-21(30)18-25(27)28;1-19-17-27(24-18-20(30)7-12-26(24)33-19)32-14-16-35(41(38,39)22-10-8-21(40-2)9-11-22)15-13-28(36)34-25-6-4-3-5-23(25)29(31)37;1-17-15-23(21-16-18(26)3-8-22(21)29-17)27-12-14-32(13-10-25(33)30-24-9-11-28-31-24)37(34,35)20-6-4-19(36-2)5-7-20/h4-13,18-19H,14-17H2,1-3H3,(H,32,33)(H,34,36);3-12,17-18H,13-16H2,1-2H3,(H,31,32)(H2,33,34,35,37);4-11,16-18H,12-15H2,1-3H3,(H,31,32)(H,33,36);3-12,17-18H,13-16H2,1-2H3,(H2,31,37)(H,32,33)(H,34,36);3-8,15-16,28H,9-14H2,1-2H3,(H,27,29)(H,30,31,33)
InChIKeyMMMACDUEZLGUGJ-UHFFFAOYSA-N
XLogP23.45
TPSA668.75 Ų
H-Bond Donors13
H-Bond Acceptors38
Rotatable Bonds57
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002957.51
LogP ≤ 523.45
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(1H-benzimidazol-2-yl)-3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanamide;3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-(4,5-dihydro-1H-pyrazol-3-yl)propanamide;3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-4-nitrophenyl)propanamide;2-[3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]benzamide;methyl 2-[3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]benzoate with MolForge

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Related Compounds

3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-(4-nitro-2-phenylmethoxyphenyl)propanamide
CID 11456771
3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-[2-(naphthalen-2-ylmethoxy)-4-nitrophenyl]propanamide
CID 11274214
2-[2-[3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]-5-nitrophenoxy]ethyl acetate
CID 11296998
3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-[2-[2-(2-methoxy-4-nitroanilino)-2-oxoethoxy]-4-(piperidine-1-carbonyl)phenyl]propanamide
CID 59717947
3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-[2-(naphthalen-2-ylmethoxy)-4-nitrosophenyl]propanamide
CID 89273528
3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methoxyphenyl]propanamide
CID 11787511
N-[4-[3-[2-[(6-iodo-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]-2,5-dimethoxyphenyl]benzamide
CID 71098969
4-methoxy-N-[2-[(6-methoxy-2-methylquinolin-4-yl)amino]ethyl]-N-[3-[(6-methoxy-2-methylquinolin-4-yl)amino]propyl]benzenesulfonamide
CID 58807114
2-chloro-N-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl]-N-[3-[(6-chloro-2-methylquinolin-4-yl)amino]propyl]benzenesulfonamide
CID 58807260
N-(1H-benzimidazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 24539552
3-[4-(4-acetyl-4-phenylpiperidine-1-carbonyl)-2-methoxyphenyl]-1-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl]-1-(4-methoxyphenyl)sulfonylurea
CID 11366286
methyl 2-[[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 2946638

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanamide;3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-(4,5-dihydro-1H-pyrazol-3-yl)propanamide;3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-4-nitrophenyl)propanamide;2-[3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]benzamide;methyl 2-[3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]benzoate?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanamide;3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-(4,5-dihydro-1H-pyrazol-3-yl)propanamide;3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-4-nitrophenyl)propanamide;2-[3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]benzamide;methyl 2-[3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]benzoate (CID 159609312) is N-(1H-benzimidazol-2-yl)-3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanamide;3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-(4,5-dihydro-1H-pyrazol-3-yl)propanamide;3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-4-nitrophenyl)propanamide;2-[3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]benzamide;methyl 2-[3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]benzoate.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanamide;3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-(4,5-dihydro-1H-pyrazol-3-yl)propanamide;3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-4-nitrophenyl)propanamide;2-[3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]benzamide;methyl 2-[3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]benzoate?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanamide;3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-(4,5-dihydro-1H-pyrazol-3-yl)propanamide;3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-4-nitrophenyl)propanamide;2-[3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]benzamide;methyl 2-[3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]benzoate is COC(=O)c1ccccc1NC(=O)CCN(CCNc1cc(C)nc2ccc(Cl)cc12)S(=O)(=O)c1ccc(OC)cc1.COc1ccc(S(=O)(=O)N(CCNc2cc(C)nc3ccc(Cl)cc23)CCC(=O)NC2=NNCC2)cc1.COc1ccc(S(=O)(=O)N(CCNc2cc(C)nc3ccc(Cl)cc23)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1.COc1ccc(S(=O)(=O)N(CCNc2cc(C)nc3ccc(Cl)cc23)CCC(=O)Nc2ccccc2C(N)=O)cc1.COc1ccc(S(=O)(=O)N(CCNc2cc(C)nc3ccc(Cl)cc23)CCC(=O)Nc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanamide;3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-(4,5-dihydro-1H-pyrazol-3-yl)propanamide;3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-4-nitrophenyl)propanamide;2-[3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]benzamide;methyl 2-[3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]benzoate?
The InChIKey is MMMACDUEZLGUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClN4O6S.C29H29ClN6O4S.C29H30ClN5O6S.C29H30ClN5O5S.C25H29ClN6O4S/c1-20-18-28(25-19-21(31)8-13-27(25)33-20)32-15-17-35(42(38,39)23-11-9-22(40-2)10-12-23)16-14-29(36)34-26-7-5-4-6-24(26)30(37)41-3;1-19-17-27(23-18-20(30)7-12-24(23)32-19)31-14-16-36(41(38,39)22-10-8-21(40-2)9-11-22)15-13-28(37)35-29-33-25-5-3-4-6-26(25)34-29;1-19-16-22(35(37)38)5-11-26(19)33-29(36)12-14-34(42(39,40)24-8-6-23(41-3)7-9-24)15-13-31-28-17-20(2)32-27-10-4-21(30)18-25(27)28;1-19-17-27(24-18-20(30)7-12-26(24)33-19)32-14-16-35(41(38,39)22-10-8-21(40-2)9-11-22)15-13-28(36)34-25-6-4-3-5-23(25)29(31)37;1-17-15-23(21-16-18(26)3-8-22(21)29-17)27-12-14-32(13-10-25(33)30-24-9-11-28-31-24)37(34,35)20-6-4-19(36-2)5-7-20/h4-13,18-19H,14-17H2,1-3H3,(H,32,33)(H,34,36);3-12,17-18H,13-16H2,1-2H3,(H,31,32)(H2,33,34,35,37);4-11,16-18H,12-15H2,1-3H3,(H,31,32)(H,33,36);3-12,17-18H,13-16H2,1-2H3,(H2,31,37)(H,32,33)(H,34,36);3-8,15-16,28H,9-14H2,1-2H3,(H,27,29)(H,30,31,33).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanamide;3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-(4,5-dihydro-1H-pyrazol-3-yl)propanamide;3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-4-nitrophenyl)propanamide;2-[3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]benzamide;methyl 2-[3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]benzoate?
N-(1H-benzimidazol-2-yl)-3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanamide;3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-(4,5-dihydro-1H-pyrazol-3-yl)propanamide;3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-4-nitrophenyl)propanamide;2-[3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]benzamide;methyl 2-[3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]benzoate has a molecular weight of 2957.51 g/mol, XLogP of 23.45, 57 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanamide;3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-(4,5-dihydro-1H-pyrazol-3-yl)propanamide;3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-4-nitrophenyl)propanamide;2-[3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]benzamide;methyl 2-[3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]benzoate is sourced from PubChem (CID 159609312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).