15-N-(azetidin-1-ylsulfonyl)-19-cyclohexyl-10-N-[1-[ethyl(methyl)amino]pentan-2-yl]-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

C38H51N5O5S — CID 71011859

About 15-N-(azetidin-1-ylsulfonyl)-19-cyclohexyl-10-N-[1-[ethyl(methyl)amino]pentan-2-yl]-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

15-N-(azetidin-1-ylsulfonyl)-19-cyclohexyl-10-N-[1-[ethyl(methyl)amino]pentan-2-yl]-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 71011859) has the molecular formula C38H51N5O5S and a molecular weight of 689.92 g/mol. Its IUPAC name is 15-N-(azetidin-1-ylsulfonyl)-19-cyclohexyl-10-N-[1-[ethyl(methyl)amino]pentan-2-yl]-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: 15-N-(azetidin-1-ylsulfonyl)-19-cyclohexyl-10-N-[1-[ethyl(methyl)amino]pentan-2-yl]-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: 71011859
• Molecular Formula: C38H51N5O5S
• Molecular Weight: 689.92 g/mol
• Exact Mass: 689.36
• IUPAC Name: 15-N-(azetidin-1-ylsulfonyl)-19-cyclohexyl-10-N-[1-[ethyl(methyl)amino]pentan-2-yl]-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: CCCC(CN(C)CC)NC(=O)C12CC1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N4CCC4)cc3n1C2
• InChI: InChI=1S/C38H51N5O5S/c1-5-11-27(23-41(3)6-2)39-37(45)38-22-32(38)31-21-28(48-4)15-17-29(31)35-34(25-12-8-7-9-13-25)30-16-14-26(20-33(30)43(35)24-38)36(44)40-49(46,47)42-18-10-19-42/h14-17,20-21,25,27,32H,5-13,18-19,22-24H2,1-4H3,(H,39,45)(H,40,44)
• InChIKey: AWJMPDXZNWIEBJ-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 112.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	689.92
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 15-N-(azetidin-1-ylsulfonyl)-19-cyclohexyl-10-N-[1-[ethyl(methyl)amino]pentan-2-yl]-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 15-N-(azetidin-1-ylsulfonyl)-19-cyclohexyl-10-N-[1-[ethyl(methyl)amino]pentan-2-yl]-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 71011859) is 15-N-(azetidin-1-ylsulfonyl)-19-cyclohexyl-10-N-[1-[ethyl(methyl)amino]pentan-2-yl]-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 15-N-(azetidin-1-ylsulfonyl)-19-cyclohexyl-10-N-[1-[ethyl(methyl)amino]pentan-2-yl]-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 15-N-(azetidin-1-ylsulfonyl)-19-cyclohexyl-10-N-[1-[ethyl(methyl)amino]pentan-2-yl]-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 CCCC(CN(C)CC)NC(=O)C12CC1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N4CCC4)cc3n1C2.

What is the InChIKey of 15-N-(azetidin-1-ylsulfonyl)-19-cyclohexyl-10-N-[1-[ethyl(methyl)amino]pentan-2-yl]-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 AWJMPDXZNWIEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H51N5O5S/c1-5-11-27(23-41(3)6-2)39-37(45)38-22-32(38)31-21-28(48-4)15-17-29(31)35-34(25-12-8-7-9-13-25)30-16-14-26(20-33(30)43(35)24-38)36(44)40-49(46,47)42-18-10-19-42/h14-17,20-21,25,27,32H,5-13,18-19,22-24H2,1-4H3,(H,39,45)(H,40,44).

What are the key properties of 15-N-(azetidin-1-ylsulfonyl)-19-cyclohexyl-10-N-[1-[ethyl(methyl)amino]pentan-2-yl]-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?

15-N-(azetidin-1-ylsulfonyl)-19-cyclohexyl-10-N-[1-[ethyl(methyl)amino]pentan-2-yl]-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 689.92 g/mol, XLogP of 5.77, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 15-N-(azetidin-1-ylsulfonyl)-19-cyclohexyl-10-N-[1-[ethyl(methyl)amino]pentan-2-yl]-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 71011859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).