N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-2-methylpropanamide

C21H25N3O4S — CID 50824118

IUPACN-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-2-methylpropanamide
SMILESCCn1c(=O)n(CC)c2cc(S(=O)(=O)c3ccccc3)c(NC(=O)C(C)C)cc21
InChIInChI=1S/C21H25N3O4S/c1-5-23-17-12-16(22-20(25)14(3)4)19(13-18(17)24(6-2)21(23)26)29(27,28)15-10-8-7-9-11-15/h7-14H,5-6H2,1-4H3,(H,22,25)
InChIKeyCSBHOGNLEHXMBC-UHFFFAOYSA-N
MW415.52 g/mol
LogP3.27
Rot. Bonds6

About N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-2-methylpropanamide

N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-2-methylpropanamide (PubChem CID 50824118) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-2-methylpropanamide
PubChem CID50824118
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-2-methylpropanamide
SMILESCCn1c(=O)n(CC)c2cc(S(=O)(=O)c3ccccc3)c(NC(=O)C(C)C)cc21
InChIInChI=1S/C21H25N3O4S/c1-5-23-17-12-16(22-20(25)14(3)4)19(13-18(17)24(6-2)21(23)26)29(27,28)15-10-8-7-9-11-15/h7-14H,5-6H2,1-4H3,(H,22,25)
InChIKeyCSBHOGNLEHXMBC-UHFFFAOYSA-N
XLogP3.27
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]benzamide
CID 50824163
N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide
CID 50824374
N-[1,3-diethyl-6-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methylbenzamide
CID 50820530
N-[1,3-diethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methoxybenzamide
CID 50824131
N-[3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]phenyl]-2-methylpropanamide
CID 55609703
N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)acetamide
CID 50824412
1-ethyl-3-(3-methyl-2-oxobutyl)benzimidazol-2-one
CID 79395758
2-[3-(benzenesulfonyl)indol-1-yl]-N-(2-ethylphenyl)acetamide
CID 16935414
1,3-diethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide
CID 17252069
N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenyl)acetamide
CID 50824133
2-[3-(benzenesulfonyl)-2-oxoquinolin-1-yl]-N-butan-2-ylacetamide
CID 46394229
N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]butanamide
CID 50824381

Frequently Asked Questions

What is the IUPAC name of N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-2-methylpropanamide?
The IUPAC name of N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-2-methylpropanamide (CID 50824118) is N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-2-methylpropanamide.
What is the SMILES notation for N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-2-methylpropanamide?
The canonical SMILES for N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-2-methylpropanamide is CCn1c(=O)n(CC)c2cc(S(=O)(=O)c3ccccc3)c(NC(=O)C(C)C)cc21.
What is the InChIKey of N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-2-methylpropanamide?
The InChIKey is CSBHOGNLEHXMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-5-23-17-12-16(22-20(25)14(3)4)19(13-18(17)24(6-2)21(23)26)29(27,28)15-10-8-7-9-11-15/h7-14H,5-6H2,1-4H3,(H,22,25).
What are the key properties of N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-2-methylpropanamide?
N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-2-methylpropanamide has a molecular weight of 415.52 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 50824118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).