2-(N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-4-methylanilino)-N-propan-2-ylacetamide

C21H26N4O4S — CID 19259362

IUPAC2-(N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-4-methylanilino)-N-propan-2-ylacetamide
SMILESCc1ccc(N(CC(=O)NC(C)C)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C21H26N4O4S/c1-14(2)22-20(26)13-25(16-8-6-15(3)7-9-16)30(28,29)17-10-11-18-19(12-17)24(5)21(27)23(18)4/h6-12,14H,13H2,1-5H3,(H,22,26)
InChIKeyMDMPZKBIBZWPIB-UHFFFAOYSA-N
MW430.53 g/mol
LogP1.91
Rot. Bonds6

About 2-(N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-4-methylanilino)-N-propan-2-ylacetamide

2-(N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-4-methylanilino)-N-propan-2-ylacetamide (PubChem CID 19259362) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is 2-(N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-4-methylanilino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-4-methylanilino)-N-propan-2-ylacetamide
PubChem CID19259362
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC Name2-(N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-4-methylanilino)-N-propan-2-ylacetamide
SMILESCc1ccc(N(CC(=O)NC(C)C)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C21H26N4O4S/c1-14(2)22-20(26)13-25(16-8-6-15(3)7-9-16)30(28,29)17-10-11-18-19(12-17)24(5)21(27)23(18)4/h6-12,14H,13H2,1-5H3,(H,22,26)
InChIKeyMDMPZKBIBZWPIB-UHFFFAOYSA-N
XLogP1.91
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propan-2-ylacetamide
CID 51345314
2-[N-(benzenesulfonyl)-4-methylanilino]-N-propan-2-ylacetamide
CID 2248872
2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-propan-2-ylacetamide
CID 2260812
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 53279303
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 92684237
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pentan-2-ylacetamide
CID 21371767
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30211773
1,3-dimethyl-N-(3-methylphenyl)-2-oxo-N-(2-oxo-2-piperidin-1-ylethyl)benzimidazole-5-sulfonamide
CID 19259371
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 51345316
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-propan-2-ylacetamide
CID 126395330
N-(3-methylbutan-2-yl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 133240950
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43900377

Frequently Asked Questions

What is the IUPAC name of 2-(N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-4-methylanilino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-4-methylanilino)-N-propan-2-ylacetamide (CID 19259362) is 2-(N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-4-methylanilino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-4-methylanilino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-4-methylanilino)-N-propan-2-ylacetamide is Cc1ccc(N(CC(=O)NC(C)C)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1.
What is the InChIKey of 2-(N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-4-methylanilino)-N-propan-2-ylacetamide?
The InChIKey is MDMPZKBIBZWPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-14(2)22-20(26)13-25(16-8-6-15(3)7-9-16)30(28,29)17-10-11-18-19(12-17)24(5)21(27)23(18)4/h6-12,14H,13H2,1-5H3,(H,22,26).
What are the key properties of 2-(N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-4-methylanilino)-N-propan-2-ylacetamide?
2-(N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-4-methylanilino)-N-propan-2-ylacetamide has a molecular weight of 430.53 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-4-methylanilino)-N-propan-2-ylacetamide is sourced from PubChem (CID 19259362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).