10-N,19-dicyclohexyl-10-N-cyclopropyl-15-N-dimethylsulfinamoyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide

C38H48N4O4S — CID 145476253

About 10-N,19-dicyclohexyl-10-N-cyclopropyl-15-N-dimethylsulfinamoyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide

10-N,19-dicyclohexyl-10-N-cyclopropyl-15-N-dimethylsulfinamoyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide (PubChem CID 145476253) has the molecular formula C38H48N4O4S and a molecular weight of 656.89 g/mol. Its IUPAC name is 10-N,19-dicyclohexyl-10-N-cyclopropyl-15-N-dimethylsulfinamoyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide.

Molecular Properties

• Compound Name: 10-N,19-dicyclohexyl-10-N-cyclopropyl-15-N-dimethylsulfinamoyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide
• PubChem CID: 145476253
• Molecular Formula: C38H48N4O4S
• Molecular Weight: 656.89 g/mol
• Exact Mass: 656.34
• IUPAC Name: 10-N,19-dicyclohexyl-10-N-cyclopropyl-15-N-dimethylsulfinamoyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide
• SMILES: COc1ccc2c(c1)C1CC1(C(=O)N(C1CCCCC1)C1CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)N(C)C)cc21
• InChI: InChI=1S/C38H48N4O4S/c1-40(2)47(45)39-36(43)25-14-18-30-33(20-25)41-23-38(37(44)42(27-15-16-27)26-12-8-5-9-13-26)22-32(38)31-21-28(46-3)17-19-29(31)35(41)34(30)24-10-6-4-7-11-24/h14,17-21,24,26-27,32H,4-13,15-16,22-23H2,1-3H3,(H,39,43)
• InChIKey: OISKZAXJDRCVCA-UHFFFAOYSA-N
• XLogP: 7.05
• TPSA: 83.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	656.89
LogP ≤ 5	7.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 10-N,19-dicyclohexyl-10-N-cyclopropyl-15-N-dimethylsulfinamoyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide?

The IUPAC name of 10-N,19-dicyclohexyl-10-N-cyclopropyl-15-N-dimethylsulfinamoyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide (CID 145476253) is 10-N,19-dicyclohexyl-10-N-cyclopropyl-15-N-dimethylsulfinamoyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide.

What is the SMILES notation for 10-N,19-dicyclohexyl-10-N-cyclopropyl-15-N-dimethylsulfinamoyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide?

The canonical SMILES for 10-N,19-dicyclohexyl-10-N-cyclopropyl-15-N-dimethylsulfinamoyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide is COc1ccc2c(c1)C1CC1(C(=O)N(C1CCCCC1)C1CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)N(C)C)cc21.

What is the InChIKey of 10-N,19-dicyclohexyl-10-N-cyclopropyl-15-N-dimethylsulfinamoyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide?

The InChIKey is OISKZAXJDRCVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H48N4O4S/c1-40(2)47(45)39-36(43)25-14-18-30-33(20-25)41-23-38(37(44)42(27-15-16-27)26-12-8-5-9-13-26)22-32(38)31-21-28(46-3)17-19-29(31)35(41)34(30)24-10-6-4-7-11-24/h14,17-21,24,26-27,32H,4-13,15-16,22-23H2,1-3H3,(H,39,43).

What are the key properties of 10-N,19-dicyclohexyl-10-N-cyclopropyl-15-N-dimethylsulfinamoyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide?

10-N,19-dicyclohexyl-10-N-cyclopropyl-15-N-dimethylsulfinamoyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide has a molecular weight of 656.89 g/mol, XLogP of 7.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-N,19-dicyclohexyl-10-N-cyclopropyl-15-N-dimethylsulfinamoyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide is sourced from PubChem (CID 145476253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).