1-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-N-cyclopentyl-2,3-dihydroindole-5-sulfonamide

C22H24N4O3S2 — CID 43853375

IUPAC1-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-N-cyclopentyl-2,3-dihydroindole-5-sulfonamide
SMILESO=C(CSc1nc2ccccc2[nH]1)N1CCc2cc(S(=O)(=O)NC3CCCC3)ccc21
InChIInChI=1S/C22H24N4O3S2/c27-21(14-30-22-23-18-7-3-4-8-19(18)24-22)26-12-11-15-13-17(9-10-20(15)26)31(28,29)25-16-5-1-2-6-16/h3-4,7-10,13,16,25H,1-2,5-6,11-12,14H2,(H,23,24)
InChIKeyQNEVFDLRVQTAAY-UHFFFAOYSA-N
MW456.59 g/mol
LogP3.47
Rot. Bonds6

About 1-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-N-cyclopentyl-2,3-dihydroindole-5-sulfonamide

1-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-N-cyclopentyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 43853375) has the molecular formula C22H24N4O3S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 1-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-N-cyclopentyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-N-cyclopentyl-2,3-dihydroindole-5-sulfonamide
PubChem CID43853375
Molecular FormulaC22H24N4O3S2
Molecular Weight456.59 g/mol
Exact Mass456.13
IUPAC Name1-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-N-cyclopentyl-2,3-dihydroindole-5-sulfonamide
SMILESO=C(CSc1nc2ccccc2[nH]1)N1CCc2cc(S(=O)(=O)NC3CCCC3)ccc21
InChIInChI=1S/C22H24N4O3S2/c27-21(14-30-22-23-18-7-3-4-8-19(18)24-22)26-12-11-15-13-17(9-10-20(15)26)31(28,29)25-16-5-1-2-6-16/h3-4,7-10,13,16,25H,1-2,5-6,11-12,14H2,(H,23,24)
InChIKeyQNEVFDLRVQTAAY-UHFFFAOYSA-N
XLogP3.47
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-benzimidazol-2-ylsulfanyl)-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 46644066
N-cyclopentyl-1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 19164498
N-butyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3H-benzimidazole-5-sulfonamide
CID 2461509
5-(cyclohexylsulfamoyl)-N-methyl-2,3-dihydroindole-1-carboxamide
CID 53005237
2-(1H-benzimidazol-2-ylsulfanyl)-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone
CID 46644068
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
CID 18193397
N-cyclopentyl-1-(2-propylpentanoyl)-2,3-dihydroindole-5-sulfonamide
CID 19164449
N-cyclopentyl-1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 19164445
1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3388851
1-acetyl-N-cycloheptyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3453929
N-cyclopentyl-1-[4-(dimethylsulfamoyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 19164501
1-acetyl-N-piperidin-3-yl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119964117

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-N-cyclopentyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-N-cyclopentyl-2,3-dihydroindole-5-sulfonamide (CID 43853375) is 1-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-N-cyclopentyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-N-cyclopentyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-N-cyclopentyl-2,3-dihydroindole-5-sulfonamide is O=C(CSc1nc2ccccc2[nH]1)N1CCc2cc(S(=O)(=O)NC3CCCC3)ccc21.
What is the InChIKey of 1-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-N-cyclopentyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is QNEVFDLRVQTAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S2/c27-21(14-30-22-23-18-7-3-4-8-19(18)24-22)26-12-11-15-13-17(9-10-20(15)26)31(28,29)25-16-5-1-2-6-16/h3-4,7-10,13,16,25H,1-2,5-6,11-12,14H2,(H,23,24).
What are the key properties of 1-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-N-cyclopentyl-2,3-dihydroindole-5-sulfonamide?
1-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-N-cyclopentyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 456.59 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-N-cyclopentyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 43853375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).