2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]-N,N-dimethyl-2-phenylacetamide

C24H22ClN3O5S — CID 66755284

IUPAC2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]-N,N-dimethyl-2-phenylacetamide
SMILESCOc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N(C)C)c3ccccc3)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C24H22ClN3O5S/c1-26(2)23(29)22(16-7-5-4-6-8-16)27-21-15-17(25)9-14-20(21)28(24(27)30)34(31,32)19-12-10-18(33-3)11-13-19/h4-15,22H,1-3H3
InChIKeyMVABQXRYDXZOBL-UHFFFAOYSA-N
MW499.98 g/mol
LogP3.38
Rot. Bonds6

About 2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]-N,N-dimethyl-2-phenylacetamide

2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]-N,N-dimethyl-2-phenylacetamide (PubChem CID 66755284) has the molecular formula C24H22ClN3O5S and a molecular weight of 499.98 g/mol. Its IUPAC name is 2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]-N,N-dimethyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]-N,N-dimethyl-2-phenylacetamide
PubChem CID66755284
Molecular FormulaC24H22ClN3O5S
Molecular Weight499.98 g/mol
Exact Mass499.10
IUPAC Name2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]-N,N-dimethyl-2-phenylacetamide
SMILESCOc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N(C)C)c3ccccc3)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C24H22ClN3O5S/c1-26(2)23(29)22(16-7-5-4-6-8-16)27-21-15-17(25)9-14-20(21)28(24(27)30)34(31,32)19-12-10-18(33-3)11-13-19/h4-15,22H,1-3H3
InChIKeyMVABQXRYDXZOBL-UHFFFAOYSA-N
XLogP3.38
TPSA90.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.98
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]-N,N-dimethyl-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-1-(4-methoxyphenyl)sulfonyl-3-[2-oxo-1-phenyl-2-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethyl]benzimidazol-2-one
CID 66754950
5-chloro-1-(4-methoxyphenyl)sulfonyl-3-[2-oxo-1-phenyl-2-[(3R)-3-piperazin-1-ylpyrrolidin-1-yl]ethyl]benzimidazol-2-one
CID 66754702
5-chloro-1-(4-methoxyphenyl)sulfonyl-3-[2-oxo-1-phenyl-2-(3-piperazin-1-ylpiperidin-1-yl)ethyl]benzimidazol-2-one
CID 66755658
5-chloro-1-(4-methoxyphenyl)sulfonyl-3-[2-oxo-1-phenyl-2-[3-(piperidin-4-ylamino)pyrrolidin-1-yl]ethyl]benzimidazol-2-one
CID 66755157
3-[2-[(3S)-3-(4-benzylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-5-chloro-1-(4-methoxyphenyl)sulfonylbenzimidazol-2-one
CID 66755333
5-chloro-3-[1-(3-methoxyphenyl)-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylbenzimidazol-2-one
CID 66755311
(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 8687503
2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]-N-[2-(dimethylamino)ethyl]-2-phenylbutanamide
CID 91540401
5-chloro-3-[1-(2-methoxyphenyl)-2-oxo-2-[3-(4-propylpiperazin-1-yl)pyrrolidin-1-yl]ethyl]-1-(4-methoxyphenyl)sulfonylbenzimidazol-2-one
CID 66755563
1-(4-methoxyphenyl)sulfonyl-2-oxo-3-[2-oxo-1-phenyl-2-[3-(4-propylpiperazin-1-yl)pyrrolidin-1-yl]ethyl]benzimidazole-5-carbonitrile
CID 66755238
tert-butyl N-[1-[2-[6-cyano-3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]-2-phenylacetyl]piperidin-3-yl]carbamate
CID 66754991
tert-butyl N-[1-[(2R)-2-[6-cyano-3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]-2-phenylacetyl]piperidin-3-yl]carbamate
CID 66755250

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]-N,N-dimethyl-2-phenylacetamide?
The IUPAC name of 2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]-N,N-dimethyl-2-phenylacetamide (CID 66755284) is 2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]-N,N-dimethyl-2-phenylacetamide.
What is the SMILES notation for 2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]-N,N-dimethyl-2-phenylacetamide?
The canonical SMILES for 2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]-N,N-dimethyl-2-phenylacetamide is COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N(C)C)c3ccccc3)c3cc(Cl)ccc32)cc1.
What is the InChIKey of 2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]-N,N-dimethyl-2-phenylacetamide?
The InChIKey is MVABQXRYDXZOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O5S/c1-26(2)23(29)22(16-7-5-4-6-8-16)27-21-15-17(25)9-14-20(21)28(24(27)30)34(31,32)19-12-10-18(33-3)11-13-19/h4-15,22H,1-3H3.
What are the key properties of 2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]-N,N-dimethyl-2-phenylacetamide?
2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]-N,N-dimethyl-2-phenylacetamide has a molecular weight of 499.98 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]-N,N-dimethyl-2-phenylacetamide is sourced from PubChem (CID 66755284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).