19-cyclohexyl-10-[2-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]-5-methoxy-N-propan-2-ylsulfonyl-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

C38H50N4O5S — CID 71011923

About 19-cyclohexyl-10-[2-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]-5-methoxy-N-propan-2-ylsulfonyl-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-10-[2-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]-5-methoxy-N-propan-2-ylsulfonyl-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 (PubChem CID 71011923) has the molecular formula C38H50N4O5S and a molecular weight of 674.91 g/mol. Its IUPAC name is 19-cyclohexyl-10-[2-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]-5-methoxy-N-propan-2-ylsulfonyl-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.

Molecular Properties

• Compound Name: 19-cyclohexyl-10-[2-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]-5-methoxy-N-propan-2-ylsulfonyl-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
• PubChem CID: 71011923
• Molecular Formula: C38H50N4O5S
• Molecular Weight: 674.91 g/mol
• Exact Mass: 674.35
• IUPAC Name: 19-cyclohexyl-10-[2-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]-5-methoxy-N-propan-2-ylsulfonyl-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
• SMILES: CCN(C)CC1CCCN1C(=O)C12CC1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)C(C)C)cc3n1C2
• InChI: InChI=1S/C38H50N4O5S/c1-6-40(4)22-27-13-10-18-41(27)37(44)38-21-32(38)31-20-28(47-5)15-17-29(31)35-34(25-11-8-7-9-12-25)30-16-14-26(19-33(30)42(35)23-38)36(43)39-48(45,46)24(2)3/h14-17,19-20,24-25,27,32H,6-13,18,21-23H2,1-5H3,(H,39,43)
• InChIKey: UDRBIAOCCWTNDE-UHFFFAOYSA-N
• XLogP: 6.26
• TPSA: 100.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	674.91
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 19-cyclohexyl-10-[2-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]-5-methoxy-N-propan-2-ylsulfonyl-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?

The IUPAC name of 19-cyclohexyl-10-[2-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]-5-methoxy-N-propan-2-ylsulfonyl-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 (CID 71011923) is 19-cyclohexyl-10-[2-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]-5-methoxy-N-propan-2-ylsulfonyl-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.

What is the SMILES notation for 19-cyclohexyl-10-[2-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]-5-methoxy-N-propan-2-ylsulfonyl-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?

The canonical SMILES for 19-cyclohexyl-10-[2-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]-5-methoxy-N-propan-2-ylsulfonyl-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 is CCN(C)CC1CCCN1C(=O)C12CC1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)C(C)C)cc3n1C2.

What is the InChIKey of 19-cyclohexyl-10-[2-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]-5-methoxy-N-propan-2-ylsulfonyl-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?

The InChIKey is UDRBIAOCCWTNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H50N4O5S/c1-6-40(4)22-27-13-10-18-41(27)37(44)38-21-32(38)31-20-28(47-5)15-17-29(31)35-34(25-11-8-7-9-12-25)30-16-14-26(19-33(30)42(35)23-38)36(43)39-48(45,46)24(2)3/h14-17,19-20,24-25,27,32H,6-13,18,21-23H2,1-5H3,(H,39,43).

What are the key properties of 19-cyclohexyl-10-[2-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]-5-methoxy-N-propan-2-ylsulfonyl-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-10-[2-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]-5-methoxy-N-propan-2-ylsulfonyl-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 has a molecular weight of 674.91 g/mol, XLogP of 6.26, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 19-cyclohexyl-10-[2-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]-5-methoxy-N-propan-2-ylsulfonyl-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 is sourced from PubChem (CID 71011923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).