5-[(4-tert-butylphenyl)sulfonylamino]-3-(4-methylthiophen-2-yl)-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide

C30H36N4O4S2 — CID 11713984

About 5-[(4-tert-butylphenyl)sulfonylamino]-3-(4-methylthiophen-2-yl)-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide

5-[(4-tert-butylphenyl)sulfonylamino]-3-(4-methylthiophen-2-yl)-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide (PubChem CID 11713984) has the molecular formula C30H36N4O4S2 and a molecular weight of 580.78 g/mol. Its IUPAC name is 5-[(4-tert-butylphenyl)sulfonylamino]-3-(4-methylthiophen-2-yl)-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-tert-butylphenyl)sulfonylamino]-3-(4-methylthiophen-2-yl)-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide
• PubChem CID: 11713984
• Molecular Formula: C30H36N4O4S2
• Molecular Weight: 580.78 g/mol
• Exact Mass: 580.22
• IUPAC Name: 5-[(4-tert-butylphenyl)sulfonylamino]-3-(4-methylthiophen-2-yl)-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide
• SMILES: Cc1csc(-c2c(C(=O)NCCN3CCOCC3)[nH]c3ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)cc23)c1
• InChI: InChI=1S/C30H36N4O4S2/c1-20-17-26(39-19-20)27-24-18-22(33-40(36,37)23-8-5-21(6-9-23)30(2,3)4)7-10-25(24)32-28(27)29(35)31-11-12-34-13-15-38-16-14-34/h5-10,17-19,32-33H,11-16H2,1-4H3,(H,31,35)
• InChIKey: PRBMKIPXUPSKNP-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 103.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.78
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[(4-tert-butylphenyl)sulfonylamino]-3-(4-methylthiophen-2-yl)-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide (CID 11713984) is 5-[(4-tert-butylphenyl)sulfonylamino]-3-(4-methylthiophen-2-yl)-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide.

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

The canonical SMILES for 5-[(4-tert-butylphenyl)sulfonylamino]-3-(4-methylthiophen-2-yl)-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide is Cc1csc(-c2c(C(=O)NCCN3CCOCC3)[nH]c3ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)cc23)c1.

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

The InChIKey is PRBMKIPXUPSKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O4S2/c1-20-17-26(39-19-20)27-24-18-22(33-40(36,37)23-8-5-21(6-9-23)30(2,3)4)7-10-25(24)32-28(27)29(35)31-11-12-34-13-15-38-16-14-34/h5-10,17-19,32-33H,11-16H2,1-4H3,(H,31,35).

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

5-[(4-tert-butylphenyl)sulfonylamino]-3-(4-methylthiophen-2-yl)-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide has a molecular weight of 580.78 g/mol, XLogP of 5.37, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-tert-butylphenyl)sulfonylamino]-3-(4-methylthiophen-2-yl)-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 11713984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).