1,3-dimethyl-N-(3-methylphenyl)-2-oxo-N-(2-oxo-2-piperidin-1-ylethyl)benzimidazole-5-sulfonamide

C23H28N4O4S — CID 19259371

IUPAC1,3-dimethyl-N-(3-methylphenyl)-2-oxo-N-(2-oxo-2-piperidin-1-ylethyl)benzimidazole-5-sulfonamide
SMILESCc1cccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C23H28N4O4S/c1-17-8-7-9-18(14-17)27(16-22(28)26-12-5-4-6-13-26)32(30,31)19-10-11-20-21(15-19)25(3)23(29)24(20)2/h7-11,14-15H,4-6,12-13,16H2,1-3H3
InChIKeyFNLWFFBOTMMGQI-UHFFFAOYSA-N
MW456.57 g/mol
LogP2.39
Rot. Bonds5

About 1,3-dimethyl-N-(3-methylphenyl)-2-oxo-N-(2-oxo-2-piperidin-1-ylethyl)benzimidazole-5-sulfonamide

1,3-dimethyl-N-(3-methylphenyl)-2-oxo-N-(2-oxo-2-piperidin-1-ylethyl)benzimidazole-5-sulfonamide (PubChem CID 19259371) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is 1,3-dimethyl-N-(3-methylphenyl)-2-oxo-N-(2-oxo-2-piperidin-1-ylethyl)benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(3-methylphenyl)-2-oxo-N-(2-oxo-2-piperidin-1-ylethyl)benzimidazole-5-sulfonamide
PubChem CID19259371
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC Name1,3-dimethyl-N-(3-methylphenyl)-2-oxo-N-(2-oxo-2-piperidin-1-ylethyl)benzimidazole-5-sulfonamide
SMILESCc1cccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C23H28N4O4S/c1-17-8-7-9-18(14-17)27(16-22(28)26-12-5-4-6-13-26)32(30,31)19-10-11-20-21(15-19)25(3)23(29)24(20)2/h7-11,14-15H,4-6,12-13,16H2,1-3H3
InChIKeyFNLWFFBOTMMGQI-UHFFFAOYSA-N
XLogP2.39
TPSA84.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-(3-methylphenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]benzenesulfonamide
CID 2279635
2-(3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylanilino)-N,N-dimethylacetamide
CID 19259341
4-chloro-N-(3-methylphenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]benzenesulfonamide
CID 2229651
2-(N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-4-methylanilino)-N-propan-2-ylacetamide
CID 19259362
N-(3-chlorophenyl)-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 1318370
3-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-1-methyl-2,4-dioxo-N-phenylquinazoline-6-sulfonamide
CID 20974135
N-[2-(azepan-1-yl)-2-oxoethyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 1138674
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-methylphenyl)-4-methylsulfanylbenzenesulfonamide
CID 999977
N-(4-methylphenyl)-4-methylsulfanyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 1106328
4-chloro-N-(3,4-dimethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 1296448
N-(3-chloro-4-methoxyphenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 999403
1,3-dimethyl-5-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]sulfonylbenzimidazol-2-one
CID 19259544

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(3-methylphenyl)-2-oxo-N-(2-oxo-2-piperidin-1-ylethyl)benzimidazole-5-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-(3-methylphenyl)-2-oxo-N-(2-oxo-2-piperidin-1-ylethyl)benzimidazole-5-sulfonamide (CID 19259371) is 1,3-dimethyl-N-(3-methylphenyl)-2-oxo-N-(2-oxo-2-piperidin-1-ylethyl)benzimidazole-5-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-(3-methylphenyl)-2-oxo-N-(2-oxo-2-piperidin-1-ylethyl)benzimidazole-5-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-(3-methylphenyl)-2-oxo-N-(2-oxo-2-piperidin-1-ylethyl)benzimidazole-5-sulfonamide is Cc1cccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1.
What is the InChIKey of 1,3-dimethyl-N-(3-methylphenyl)-2-oxo-N-(2-oxo-2-piperidin-1-ylethyl)benzimidazole-5-sulfonamide?
The InChIKey is FNLWFFBOTMMGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S/c1-17-8-7-9-18(14-17)27(16-22(28)26-12-5-4-6-13-26)32(30,31)19-10-11-20-21(15-19)25(3)23(29)24(20)2/h7-11,14-15H,4-6,12-13,16H2,1-3H3.
What are the key properties of 1,3-dimethyl-N-(3-methylphenyl)-2-oxo-N-(2-oxo-2-piperidin-1-ylethyl)benzimidazole-5-sulfonamide?
1,3-dimethyl-N-(3-methylphenyl)-2-oxo-N-(2-oxo-2-piperidin-1-ylethyl)benzimidazole-5-sulfonamide has a molecular weight of 456.57 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(3-methylphenyl)-2-oxo-N-(2-oxo-2-piperidin-1-ylethyl)benzimidazole-5-sulfonamide is sourced from PubChem (CID 19259371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).