3-(4-chlorophenyl)sulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide

C20H16ClN3O3S2 — CID 52830653

IUPAC3-(4-chlorophenyl)sulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2nc(-c3cccs3)[nH]c2c1
InChIInChI=1S/C20H16ClN3O3S2/c21-13-3-6-15(7-4-13)29(26,27)11-9-19(25)22-14-5-8-16-17(12-14)24-20(23-16)18-2-1-10-28-18/h1-8,10,12H,9,11H2,(H,22,25)(H,23,24)
InChIKeyQFNRYUSANQGOEZ-UHFFFAOYSA-N
MW445.95 g/mol
LogP4.75
Rot. Bonds6

About 3-(4-chlorophenyl)sulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide

3-(4-chlorophenyl)sulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide (PubChem CID 52830653) has the molecular formula C20H16ClN3O3S2 and a molecular weight of 445.95 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide
PubChem CID52830653
Molecular FormulaC20H16ClN3O3S2
Molecular Weight445.95 g/mol
Exact Mass445.03
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2nc(-c3cccs3)[nH]c2c1
InChIInChI=1S/C20H16ClN3O3S2/c21-13-3-6-15(7-4-13)29(26,27)11-9-19(25)22-14-5-8-16-17(12-14)24-20(23-16)18-2-1-10-28-18/h1-8,10,12H,9,11H2,(H,22,25)(H,23,24)
InChIKeyQFNRYUSANQGOEZ-UHFFFAOYSA-N
XLogP4.75
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.95
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide
CID 60612606
2-cyano-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)acetamide
CID 168523092
3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)benzamide
CID 60587312
3-(4-chlorophenyl)sulfonyl-N-naphthalen-2-ylpropanamide
CID 2902895
N-(4-chlorophenyl)-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]propanamide
CID 46273821
N-[4-methoxy-3-[(2-thiophen-2-yl-3H-benzimidazol-5-yl)sulfamoyl]phenyl]acetamide
CID 47076113
N-(3-acetylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide
CID 7254317
N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-3-(4-chlorophenyl)sulfonylpropanamide
CID 135732201
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 22584796
4-(4-chlorophenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)butanamide
CID 18586068
1-methyl-4-piperidin-1-ylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)pyrrole-2-carboxamide
CID 52731849
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide
CID 18586254

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide (CID 52830653) is 3-(4-chlorophenyl)sulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide is O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2nc(-c3cccs3)[nH]c2c1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide?
The InChIKey is QFNRYUSANQGOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3S2/c21-13-3-6-15(7-4-13)29(26,27)11-9-19(25)22-14-5-8-16-17(12-14)24-20(23-16)18-2-1-10-28-18/h1-8,10,12H,9,11H2,(H,22,25)(H,23,24).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide?
3-(4-chlorophenyl)sulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide has a molecular weight of 445.95 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide is sourced from PubChem (CID 52830653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).