N-tert-butylsulfonyl-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide

C29H37N3O6S — CID 71816842

About N-tert-butylsulfonyl-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide

N-tert-butylsulfonyl-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide (PubChem CID 71816842) has the molecular formula C29H37N3O6S and a molecular weight of 555.70 g/mol. Its IUPAC name is N-tert-butylsulfonyl-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide.

Molecular Properties

• Compound Name: N-tert-butylsulfonyl-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide
• PubChem CID: 71816842
• Molecular Formula: C29H37N3O6S
• Molecular Weight: 555.70 g/mol
• Exact Mass: 555.24
• IUPAC Name: N-tert-butylsulfonyl-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide
• SMILES: CC(C)(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c(-c3ccoc3)n(CC(=O)N3CCOCC3)c2c1
• InChI: InChI=1S/C29H37N3O6S/c1-29(2,3)39(35,36)30-28(34)21-9-10-23-24(17-21)32(18-25(33)31-12-15-37-16-13-31)27(22-11-14-38-19-22)26(23)20-7-5-4-6-8-20/h9-11,14,17,19-20H,4-8,12-13,15-16,18H2,1-3H3,(H,30,34)
• InChIKey: GTOWJWSCONVUTQ-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 110.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.70
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfonyl-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide?

The IUPAC name of N-tert-butylsulfonyl-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide (CID 71816842) is N-tert-butylsulfonyl-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide.

What is the SMILES notation for N-tert-butylsulfonyl-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide?

The canonical SMILES for N-tert-butylsulfonyl-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide is CC(C)(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c(-c3ccoc3)n(CC(=O)N3CCOCC3)c2c1.

What is the InChIKey of N-tert-butylsulfonyl-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide?

The InChIKey is GTOWJWSCONVUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O6S/c1-29(2,3)39(35,36)30-28(34)21-9-10-23-24(17-21)32(18-25(33)31-12-15-37-16-13-31)27(22-11-14-38-19-22)26(23)20-7-5-4-6-8-20/h9-11,14,17,19-20H,4-8,12-13,15-16,18H2,1-3H3,(H,30,34).

What are the key properties of N-tert-butylsulfonyl-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide?

N-tert-butylsulfonyl-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide has a molecular weight of 555.70 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butylsulfonyl-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide is sourced from PubChem (CID 71816842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).