5-[(4-tert-butylphenyl)sulfonylamino]-N-cyclopentyl-3-phenyl-1-benzothiophene-2-carboxamide

C30H32N2O3S2 — CID 58770293

IUPAC5-[(4-tert-butylphenyl)sulfonylamino]-N-cyclopentyl-3-phenyl-1-benzothiophene-2-carboxamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3sc(C(=O)NC4CCCC4)c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C30H32N2O3S2/c1-30(2,3)21-13-16-24(17-14-21)37(34,35)32-23-15-18-26-25(19-23)27(20-9-5-4-6-10-20)28(36-26)29(33)31-22-11-7-8-12-22/h4-6,9-10,13-19,22,32H,7-8,11-12H2,1-3H3,(H,31,33)
InChIKeyQBKTYVJZBONWPC-UHFFFAOYSA-N
MW532.73 g/mol
LogP7.34
Rot. Bonds6

About 5-[(4-tert-butylphenyl)sulfonylamino]-N-cyclopentyl-3-phenyl-1-benzothiophene-2-carboxamide

5-[(4-tert-butylphenyl)sulfonylamino]-N-cyclopentyl-3-phenyl-1-benzothiophene-2-carboxamide (PubChem CID 58770293) has the molecular formula C30H32N2O3S2 and a molecular weight of 532.73 g/mol. Its IUPAC name is 5-[(4-tert-butylphenyl)sulfonylamino]-N-cyclopentyl-3-phenyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(4-tert-butylphenyl)sulfonylamino]-N-cyclopentyl-3-phenyl-1-benzothiophene-2-carboxamide
PubChem CID58770293
Molecular FormulaC30H32N2O3S2
Molecular Weight532.73 g/mol
Exact Mass532.19
IUPAC Name5-[(4-tert-butylphenyl)sulfonylamino]-N-cyclopentyl-3-phenyl-1-benzothiophene-2-carboxamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3sc(C(=O)NC4CCCC4)c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C30H32N2O3S2/c1-30(2,3)21-13-16-24(17-14-21)37(34,35)32-23-15-18-26-25(19-23)27(20-9-5-4-6-10-20)28(36-26)29(33)31-22-11-7-8-12-22/h4-6,9-10,13-19,22,32H,7-8,11-12H2,1-3H3,(H,31,33)
InChIKeyQBKTYVJZBONWPC-UHFFFAOYSA-N
XLogP7.34
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.73
LogP ≤ 57.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-tert-butylphenyl)sulfonylamino]-N-cycloheptyl-3-phenyl-1H-indole-2-carboxamide
CID 58622331
5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1-benzothiophene-2-carboxylic acid;5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-N-pyridin-4-yl-1-benzothiophene-2-carboxamide
CID 158587790
N-(1-benzylpiperidin-4-yl)-5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indole-2-carboxamide
CID 58622329
[5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1-benzothiophen-2-yl] N-prop-2-enylcarbamate
CID 68864484
N-cyclopentyl-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386307
but-1-ene;4-tert-butyl-N-(2-formyl-3-phenyl-1-benzothiophen-5-yl)benzenesulfonamide;molecular hydrogen
CID 143364036
5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-fluorophenyl)-N-(oxan-4-yl)-1H-indole-2-carboxamide
CID 11649677
[5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] hydrogen carbonate
CID 68849323
5-[(4-tert-butylphenyl)sulfonylamino]-N-(oxan-4-yl)-3-pyridin-3-yl-1H-indole-2-carboxamide
CID 11599028
4-tert-butyl-N-[2-[3-(cyclopropylmethyl)but-3-enoyl]-3-phenyl-1H-indol-5-yl]benzenesulfonamide
CID 143202698
4-(benzenesulfonamido)-N-cyclooctylbenzamide
CID 24635133
5-[(4-tert-butylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-3-phenyl-1H-indole-2-carboxamide
CID 58622370

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylphenyl)sulfonylamino]-N-cyclopentyl-3-phenyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-[(4-tert-butylphenyl)sulfonylamino]-N-cyclopentyl-3-phenyl-1-benzothiophene-2-carboxamide (CID 58770293) is 5-[(4-tert-butylphenyl)sulfonylamino]-N-cyclopentyl-3-phenyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-[(4-tert-butylphenyl)sulfonylamino]-N-cyclopentyl-3-phenyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-[(4-tert-butylphenyl)sulfonylamino]-N-cyclopentyl-3-phenyl-1-benzothiophene-2-carboxamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3sc(C(=O)NC4CCCC4)c(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 5-[(4-tert-butylphenyl)sulfonylamino]-N-cyclopentyl-3-phenyl-1-benzothiophene-2-carboxamide?
The InChIKey is QBKTYVJZBONWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O3S2/c1-30(2,3)21-13-16-24(17-14-21)37(34,35)32-23-15-18-26-25(19-23)27(20-9-5-4-6-10-20)28(36-26)29(33)31-22-11-7-8-12-22/h4-6,9-10,13-19,22,32H,7-8,11-12H2,1-3H3,(H,31,33).
What are the key properties of 5-[(4-tert-butylphenyl)sulfonylamino]-N-cyclopentyl-3-phenyl-1-benzothiophene-2-carboxamide?
5-[(4-tert-butylphenyl)sulfonylamino]-N-cyclopentyl-3-phenyl-1-benzothiophene-2-carboxamide has a molecular weight of 532.73 g/mol, XLogP of 7.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylphenyl)sulfonylamino]-N-cyclopentyl-3-phenyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 58770293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).