5-[(4-tert-butylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-3-phenyl-1H-indole-2-carboxamide

C30H33N3O4S — CID 58622370

About 5-[(4-tert-butylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-3-phenyl-1H-indole-2-carboxamide

5-[(4-tert-butylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-3-phenyl-1H-indole-2-carboxamide (PubChem CID 58622370) has the molecular formula C30H33N3O4S and a molecular weight of 531.68 g/mol. Its IUPAC name is 5-[(4-tert-butylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-3-phenyl-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-tert-butylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-3-phenyl-1H-indole-2-carboxamide
• PubChem CID: 58622370
• Molecular Formula: C30H33N3O4S
• Molecular Weight: 531.68 g/mol
• Exact Mass: 531.22
• IUPAC Name: 5-[(4-tert-butylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-3-phenyl-1H-indole-2-carboxamide
• SMILES: CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(=O)NCC4CCCO4)c(-c4ccccc4)c3c2)cc1
• InChI: InChI=1S/C30H33N3O4S/c1-30(2,3)21-11-14-24(15-12-21)38(35,36)33-22-13-16-26-25(18-22)27(20-8-5-4-6-9-20)28(32-26)29(34)31-19-23-10-7-17-37-23/h4-6,8-9,11-16,18,23,32-33H,7,10,17,19H2,1-3H3,(H,31,34)
• InChIKey: XDPLFHZJWAIWNP-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 100.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.68
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-[(4-tert-butylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-3-phenyl-1H-indole-2-carboxamide (CID 58622370) is 5-[(4-tert-butylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-3-phenyl-1H-indole-2-carboxamide.

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

The canonical SMILES for 5-[(4-tert-butylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-3-phenyl-1H-indole-2-carboxamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(=O)NCC4CCCO4)c(-c4ccccc4)c3c2)cc1.

What is the InChIKey of 5-[(4-tert-butylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-3-phenyl-1H-indole-2-carboxamide?

The InChIKey is XDPLFHZJWAIWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O4S/c1-30(2,3)21-11-14-24(15-12-21)38(35,36)33-22-13-16-26-25(18-22)27(20-8-5-4-6-9-20)28(32-26)29(34)31-19-23-10-7-17-37-23/h4-6,8-9,11-16,18,23,32-33H,7,10,17,19H2,1-3H3,(H,31,34).

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

5-[(4-tert-butylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-3-phenyl-1H-indole-2-carboxamide has a molecular weight of 531.68 g/mol, XLogP of 5.84, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-tert-butylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-3-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 58622370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).