5-[(4-tert-butylphenyl)sulfonylamino]-N-(oxan-4-yl)-3-pyridin-3-yl-1H-indole-2-carboxamide

C29H32N4O4S — CID 11599028

About 5-[(4-tert-butylphenyl)sulfonylamino]-N-(oxan-4-yl)-3-pyridin-3-yl-1H-indole-2-carboxamide

5-[(4-tert-butylphenyl)sulfonylamino]-N-(oxan-4-yl)-3-pyridin-3-yl-1H-indole-2-carboxamide (PubChem CID 11599028) has the molecular formula C29H32N4O4S and a molecular weight of 532.67 g/mol. Its IUPAC name is 5-[(4-tert-butylphenyl)sulfonylamino]-N-(oxan-4-yl)-3-pyridin-3-yl-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-tert-butylphenyl)sulfonylamino]-N-(oxan-4-yl)-3-pyridin-3-yl-1H-indole-2-carboxamide
• PubChem CID: 11599028
• Molecular Formula: C29H32N4O4S
• Molecular Weight: 532.67 g/mol
• Exact Mass: 532.21
• IUPAC Name: 5-[(4-tert-butylphenyl)sulfonylamino]-N-(oxan-4-yl)-3-pyridin-3-yl-1H-indole-2-carboxamide
• SMILES: CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(=O)NC4CCOCC4)c(-c4cccnc4)c3c2)cc1
• InChI: InChI=1S/C29H32N4O4S/c1-29(2,3)20-6-9-23(10-7-20)38(35,36)33-22-8-11-25-24(17-22)26(19-5-4-14-30-18-19)27(32-25)28(34)31-21-12-15-37-16-13-21/h4-11,14,17-18,21,32-33H,12-13,15-16H2,1-3H3,(H,31,34)
• InChIKey: MCWBTMYSGMXMDA-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 113.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.67
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylphenyl)sulfonylamino]-N-(oxan-4-yl)-3-pyridin-3-yl-1H-indole-2-carboxamide?

The IUPAC name of 5-[(4-tert-butylphenyl)sulfonylamino]-N-(oxan-4-yl)-3-pyridin-3-yl-1H-indole-2-carboxamide (CID 11599028) is 5-[(4-tert-butylphenyl)sulfonylamino]-N-(oxan-4-yl)-3-pyridin-3-yl-1H-indole-2-carboxamide.

What is the SMILES notation for 5-[(4-tert-butylphenyl)sulfonylamino]-N-(oxan-4-yl)-3-pyridin-3-yl-1H-indole-2-carboxamide?

The canonical SMILES for 5-[(4-tert-butylphenyl)sulfonylamino]-N-(oxan-4-yl)-3-pyridin-3-yl-1H-indole-2-carboxamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(=O)NC4CCOCC4)c(-c4cccnc4)c3c2)cc1.

What is the InChIKey of 5-[(4-tert-butylphenyl)sulfonylamino]-N-(oxan-4-yl)-3-pyridin-3-yl-1H-indole-2-carboxamide?

The InChIKey is MCWBTMYSGMXMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O4S/c1-29(2,3)20-6-9-23(10-7-20)38(35,36)33-22-8-11-25-24(17-22)26(19-5-4-14-30-18-19)27(32-25)28(34)31-21-12-15-37-16-13-21/h4-11,14,17-18,21,32-33H,12-13,15-16H2,1-3H3,(H,31,34).

What are the key properties of 5-[(4-tert-butylphenyl)sulfonylamino]-N-(oxan-4-yl)-3-pyridin-3-yl-1H-indole-2-carboxamide?

5-[(4-tert-butylphenyl)sulfonylamino]-N-(oxan-4-yl)-3-pyridin-3-yl-1H-indole-2-carboxamide has a molecular weight of 532.67 g/mol, XLogP of 5.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-tert-butylphenyl)sulfonylamino]-N-(oxan-4-yl)-3-pyridin-3-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 11599028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).