N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(4-methoxyphenyl)-2-methylpropanamide

C20H23N3O5S — CID 1242553

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(4-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccc(N(C(=O)C(C)C)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C20H23N3O5S/c1-13(2)19(24)23(14-6-8-15(28-5)9-7-14)29(26,27)16-10-11-17-18(12-16)22(4)20(25)21(17)3/h6-13H,1-5H3
InChIKeyUZUNVKHPYLXIQF-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.26
Rot. Bonds5

About N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(4-methoxyphenyl)-2-methylpropanamide

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(4-methoxyphenyl)-2-methylpropanamide (PubChem CID 1242553) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(4-methoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(4-methoxyphenyl)-2-methylpropanamide
PubChem CID1242553
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(4-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccc(N(C(=O)C(C)C)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C20H23N3O5S/c1-13(2)19(24)23(14-6-8-15(28-5)9-7-14)29(26,27)16-10-11-17-18(12-16)22(4)20(25)21(17)3/h6-13H,1-5H3
InChIKeyUZUNVKHPYLXIQF-UHFFFAOYSA-N
XLogP2.26
TPSA90.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-(4-methoxyphenyl)-4-(pyrrolidin-1-yl)benzene-1-sulfonamide
CID 3674642
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxybenzenesulfonamide
CID 1250430
N-(4-ethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 2957824
2-(carbamoylamino)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-piperidin-1-ylphenyl]propanamide
CID 4291895
N-(4-methoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372219
N-(4-butoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372868
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]pyrrolidine-1-carboxamide
CID 16031722
1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazole-5-sulfonic acid (4-methoxy-phenyl)-amide
CID 1093431
1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazole-5-sulfonic acid (2-methoxy-phenyl)-amide
CID 1093433
N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 1242527
N-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-2-methylpropanamide
CID 4830687
N-(4-ethoxyphenyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 7454652

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(4-methoxyphenyl)-2-methylpropanamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(4-methoxyphenyl)-2-methylpropanamide (CID 1242553) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(4-methoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(4-methoxyphenyl)-2-methylpropanamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(4-methoxyphenyl)-2-methylpropanamide is COc1ccc(N(C(=O)C(C)C)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(4-methoxyphenyl)-2-methylpropanamide?
The InChIKey is UZUNVKHPYLXIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-13(2)19(24)23(14-6-8-15(28-5)9-7-14)29(26,27)16-10-11-17-18(12-16)22(4)20(25)21(17)3/h6-13H,1-5H3.
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(4-methoxyphenyl)-2-methylpropanamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(4-methoxyphenyl)-2-methylpropanamide has a molecular weight of 417.49 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(4-methoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 1242553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).