19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-[(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)sulfonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-5-methoxy-N-methylsulfonyl-10-(1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;ethane

C75H96N8O11S3 — CID 145475630

About 19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-[(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)sulfonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-5-methoxy-N-methylsulfonyl-10-(1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;ethane

19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-[(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)sulfonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-5-methoxy-N-methylsulfonyl-10-(1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;ethane (PubChem CID 145475630) has the molecular formula C75H96N8O11S3 and a molecular weight of 1381.84 g/mol. Its IUPAC name is 19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-[(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)sulfonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-5-methoxy-N-methylsulfonyl-10-(1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;ethane.

Molecular Properties

• Compound Name: 19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-[(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)sulfonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-5-methoxy-N-methylsulfonyl-10-(1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;ethane
• PubChem CID: 145475630
• Molecular Formula: C75H96N8O11S3
• Molecular Weight: 1381.84 g/mol
• Exact Mass: 1380.64
• IUPAC Name: 19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-[(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)sulfonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-5-methoxy-N-methylsulfonyl-10-(1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;ethane
• SMILES: CC.COc1ccc2c(c1)C1CC1(C(=O)N1CC3(C)CN(C)CC(C)(C1)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(C)(=O)=O)cc21.COc1ccc2c(c1)C1CC1(S(=O)(=O)N1C3CC1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21
• InChI: InChI=1S/C38H48N4O5S.C35H42N4O6S2.C2H6/c1-36-18-37(2,20-40(3)19-36)22-41(21-36)35(44)38-17-30(38)29-16-26(47-4)12-14-27(29)33-32(24-9-7-6-8-10-24)28-13-11-25(15-31(28)42(33)23-38)34(43)39-48(5,45)46;1-37-18-23-15-24(19-37)39(23)47(43,44)35-17-30(35)29-16-25(45-2)9-13-27(29)33-32(21-6-4-3-5-7-21)28-12-8-22(14-31(28)38(33)20-35)34(40)36-46(41,42)26-10-11-26;1-2/h11-16,24,30H,6-10,17-23H2,1-5H3,(H,39,43);8-9,12-14,16,21,23-24,26,30H,3-7,10-11,15,17-20H2,1-2H3,(H,36,40);1-2H3
• InChIKey: RIUQTGPRWXCLIZ-UHFFFAOYSA-N
• XLogP: 11.30
• TPSA: 218.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1381.84
LogP ≤ 5	11.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-[(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)sulfonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-5-methoxy-N-methylsulfonyl-10-(1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;ethane?

The IUPAC name of 19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-[(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)sulfonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-5-methoxy-N-methylsulfonyl-10-(1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;ethane (CID 145475630) is 19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-[(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)sulfonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-5-methoxy-N-methylsulfonyl-10-(1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;ethane.

What is the SMILES notation for 19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-[(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)sulfonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-5-methoxy-N-methylsulfonyl-10-(1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;ethane?

The canonical SMILES for 19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-[(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)sulfonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-5-methoxy-N-methylsulfonyl-10-(1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;ethane is CC.COc1ccc2c(c1)C1CC1(C(=O)N1CC3(C)CN(C)CC(C)(C1)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(C)(=O)=O)cc21.COc1ccc2c(c1)C1CC1(S(=O)(=O)N1C3CC1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21.

What is the InChIKey of 19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-[(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)sulfonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-5-methoxy-N-methylsulfonyl-10-(1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;ethane?

The InChIKey is RIUQTGPRWXCLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H48N4O5S.C35H42N4O6S2.C2H6/c1-36-18-37(2,20-40(3)19-36)22-41(21-36)35(44)38-17-30(38)29-16-26(47-4)12-14-27(29)33-32(24-9-7-6-8-10-24)28-13-11-25(15-31(28)42(33)23-38)34(43)39-48(5,45)46;1-37-18-23-15-24(19-37)39(23)47(43,44)35-17-30(35)29-16-25(45-2)9-13-27(29)33-32(21-6-4-3-5-7-21)28-12-8-22(14-31(28)38(33)20-35)34(40)36-46(41,42)26-10-11-26;1-2/h11-16,24,30H,6-10,17-23H2,1-5H3,(H,39,43);8-9,12-14,16,21,23-24,26,30H,3-7,10-11,15,17-20H2,1-2H3,(H,36,40);1-2H3.

What are the key properties of 19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-[(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)sulfonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-5-methoxy-N-methylsulfonyl-10-(1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;ethane?

19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-[(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)sulfonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-5-methoxy-N-methylsulfonyl-10-(1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;ethane has a molecular weight of 1381.84 g/mol, XLogP of 11.30, 12 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 19-cyclohexyl-N-cyclopropylsulfonyl-5-methoxy-10-[(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)sulfonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-5-methoxy-N-methylsulfonyl-10-(1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;ethane is sourced from PubChem (CID 145475630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).