N-(5-chloro-2-methoxyphenyl)-2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylacetamide

C23H20ClN3O4S2 — CID 4302126

IUPACN-(5-chloro-2-methoxyphenyl)-2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2n1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H20ClN3O4S2/c1-15-7-10-17(11-8-15)33(29,30)27-20-6-4-3-5-18(20)26-23(27)32-14-22(28)25-19-13-16(24)9-12-21(19)31-2/h3-13H,14H2,1-2H3,(H,25,28)
InChIKeyVYTVTWABKYSRHE-UHFFFAOYSA-N
MW502.02 g/mol
LogP4.97
Rot. Bonds7

About N-(5-chloro-2-methoxyphenyl)-2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylacetamide

N-(5-chloro-2-methoxyphenyl)-2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylacetamide (PubChem CID 4302126) has the molecular formula C23H20ClN3O4S2 and a molecular weight of 502.02 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylacetamide
PubChem CID4302126
Molecular FormulaC23H20ClN3O4S2
Molecular Weight502.02 g/mol
Exact Mass501.06
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2n1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H20ClN3O4S2/c1-15-7-10-17(11-8-15)33(29,30)27-20-6-4-3-5-18(20)26-23(27)32-14-22(28)25-19-13-16(24)9-12-21(19)31-2/h3-13H,14H2,1-2H3,(H,25,28)
InChIKeyVYTVTWABKYSRHE-UHFFFAOYSA-N
XLogP4.97
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.02
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-methoxy-2-methylphenyl)acetamide
CID 39929865
2-[1-(3,5-dimethylphenyl)sulfonylbenzimidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 134817030
N-(5-chloro-2-methoxyphenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanylacetamide
CID 1440945
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 42983279
2-[6-methoxy-1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 3698242
N-(5-chloro-2-methoxyphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755341
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-chloro-2-methoxyphenyl)acetamide
CID 2478471
N-(5-chloro-2-methylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171471
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 24524493
N-(5-chloro-2-methoxyphenyl)-2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 135485207
N-(5-chloro-2-methoxyphenyl)-2-(3-ethylquinolin-2-yl)sulfanylacetamide
CID 3207915
2-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 17337645

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylacetamide (CID 4302126) is N-(5-chloro-2-methoxyphenyl)-2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylacetamide is COc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2n1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylacetamide?
The InChIKey is VYTVTWABKYSRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O4S2/c1-15-7-10-17(11-8-15)33(29,30)27-20-6-4-3-5-18(20)26-23(27)32-14-22(28)25-19-13-16(24)9-12-21(19)31-2/h3-13H,14H2,1-2H3,(H,25,28).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylacetamide?
N-(5-chloro-2-methoxyphenyl)-2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylacetamide has a molecular weight of 502.02 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 4302126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).