N-butyl-N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-methylpropan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;7-methoxy-6,8-dimethyl-1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine

C189H255N13O28S6 — CID 160592334

About N-butyl-N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-methylpropan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;7-methoxy-6,8-dimethyl-1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine

N-butyl-N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-methylpropan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;7-methoxy-6,8-dimethyl-1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine (PubChem CID 160592334) has the molecular formula C189H255N13O28S6 and a molecular weight of 3349.58 g/mol. Its IUPAC name is N-butyl-N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-methylpropan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;7-methoxy-6,8-dimethyl-1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine.

Molecular Properties

• Compound Name: N-butyl-N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-methylpropan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;7-methoxy-6,8-dimethyl-1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine
• PubChem CID: 160592334
• Molecular Formula: C189H255N13O28S6
• Molecular Weight: 3349.58 g/mol
• Exact Mass: 3346.73
• IUPAC Name: N-butyl-N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-methylpropan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;7-methoxy-6,8-dimethyl-1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine
• SMILES: CCCCN(CCCC)CCCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3cc(C)c(OC)c(C)c23)cc1.CCCN(CCC)CCCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3cc(C)c(OC)c(C)c23)cc1.COc1c(C)cn2cc(C(C)C)c(S(=O)(=O)c3ccc(OCCCN4CCN(c5ccccc5)CC4)cc3)c2c1C.COc1c(C)cn2cc(C(C)C)c(S(=O)(=O)c3ccc(OCCCNC4CCCCC4)cc3)c2c1C.COc1ccc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4cc(C)c(OC)c(C)c34)cc2)cc1OC.COc1ccc(CCNCCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4cc(C)c(OC)c(C)c34)cc2)cc1OC
• InChI: InChI=1S/C34H44N2O6S.C33H41N3O4S.C33H42N2O6S.C31H46N2O4S.C29H40N2O4S.C29H42N2O4S/c1-23(2)29-22-36-21-24(3)33(41-8)25(4)32(36)34(29)43(37,38)28-13-11-27(12-14-28)42-19-9-17-35(5)18-16-26-10-15-30(39-6)31(20-26)40-7;1-24(2)30-23-36-22-25(3)32(39-5)26(4)31(36)33(30)41(37,38)29-14-12-28(13-15-29)40-21-9-16-34-17-19-35(20-18-34)27-10-7-6-8-11-27;1-22(2)28-21-35-20-23(3)32(40-7)24(4)31(35)33(28)42(36,37)27-12-10-26(11-13-27)41-18-8-16-34-17-15-25-9-14-29(38-5)30(19-25)39-6;1-8-10-17-32(18-11-9-2)19-12-20-37-26-13-15-27(16-14-26)38(34,35)31-28(23(3)4)22-33-21-24(5)30(36-7)25(6)29(31)33;1-20(2)26-19-31-18-21(3)28(34-5)22(4)27(31)29(26)36(32,33)25-14-12-24(13-15-25)35-17-9-16-30-23-10-7-6-8-11-23;1-8-15-30(16-9-2)17-10-18-35-24-11-13-25(14-12-24)36(32,33)29-26(21(3)4)20-31-19-22(5)28(34-7)23(6)27(29)31/h10-15,20-23H,9,16-19H2,1-8H3;6-8,10-15,22-24H,9,16-21H2,1-5H3;9-14,19-22,34H,8,15-18H2,1-7H3;13-16,21-23H,8-12,17-20H2,1-7H3;12-15,18-20,23,30H,6-11,16-17H2,1-5H3;11-14,19-21H,8-10,15-18H2,1-7H3
• InChIKey: RDERKTINBVAPEK-UHFFFAOYSA-N
• XLogP: 38.55
• TPSA: 419.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 41
• Rotatable Bonds: 76
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3349.58
LogP ≤ 5	38.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-methylpropan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;7-methoxy-6,8-dimethyl-1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine?

The IUPAC name of N-butyl-N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-methylpropan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;7-methoxy-6,8-dimethyl-1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine (CID 160592334) is N-butyl-N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-methylpropan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;7-methoxy-6,8-dimethyl-1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine.

What is the SMILES notation for N-butyl-N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-methylpropan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;7-methoxy-6,8-dimethyl-1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine?

The canonical SMILES for N-butyl-N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-methylpropan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;7-methoxy-6,8-dimethyl-1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine is CCCCN(CCCC)CCCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3cc(C)c(OC)c(C)c23)cc1.CCCN(CCC)CCCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3cc(C)c(OC)c(C)c23)cc1.COc1c(C)cn2cc(C(C)C)c(S(=O)(=O)c3ccc(OCCCN4CCN(c5ccccc5)CC4)cc3)c2c1C.COc1c(C)cn2cc(C(C)C)c(S(=O)(=O)c3ccc(OCCCNC4CCCCC4)cc3)c2c1C.COc1ccc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4cc(C)c(OC)c(C)c34)cc2)cc1OC.COc1ccc(CCNCCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4cc(C)c(OC)c(C)c34)cc2)cc1OC.

What is the InChIKey of N-butyl-N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-methylpropan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;7-methoxy-6,8-dimethyl-1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine?

The InChIKey is RDERKTINBVAPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N2O6S.C33H41N3O4S.C33H42N2O6S.C31H46N2O4S.C29H40N2O4S.C29H42N2O4S/c1-23(2)29-22-36-21-24(3)33(41-8)25(4)32(36)34(29)43(37,38)28-13-11-27(12-14-28)42-19-9-17-35(5)18-16-26-10-15-30(39-6)31(20-26)40-7;1-24(2)30-23-36-22-25(3)32(39-5)26(4)31(36)33(30)41(37,38)29-14-12-28(13-15-29)40-21-9-16-34-17-19-35(20-18-34)27-10-7-6-8-11-27;1-22(2)28-21-35-20-23(3)32(40-7)24(4)31(35)33(28)42(36,37)27-12-10-26(11-13-27)41-18-8-16-34-17-15-25-9-14-29(38-5)30(19-25)39-6;1-8-10-17-32(18-11-9-2)19-12-20-37-26-13-15-27(16-14-26)38(34,35)31-28(23(3)4)22-33-21-24(5)30(36-7)25(6)29(31)33;1-20(2)26-19-31-18-21(3)28(34-5)22(4)27(31)29(26)36(32,33)25-14-12-24(13-15-25)35-17-9-16-30-23-10-7-6-8-11-23;1-8-15-30(16-9-2)17-10-18-35-24-11-13-25(14-12-24)36(32,33)29-26(21(3)4)20-31-19-22(5)28(34-7)23(6)27(29)31/h10-15,20-23H,9,16-19H2,1-8H3;6-8,10-15,22-24H,9,16-21H2,1-5H3;9-14,19-22,34H,8,15-18H2,1-7H3;13-16,21-23H,8-12,17-20H2,1-7H3;12-15,18-20,23,30H,6-11,16-17H2,1-5H3;11-14,19-21H,8-10,15-18H2,1-7H3.

What are the key properties of N-butyl-N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-methylpropan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;7-methoxy-6,8-dimethyl-1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine?

N-butyl-N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-methylpropan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;7-methoxy-6,8-dimethyl-1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine has a molecular weight of 3349.58 g/mol, XLogP of 38.55, 76 rotatable bonds, 2 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-methylpropan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;7-methoxy-6,8-dimethyl-1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine is sourced from PubChem (CID 160592334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).