N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenyl)acetamide

C26H33N3O4S — CID 50824133

IUPACN-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenyl)acetamide
SMILESCCn1c(=O)n(CC)c2cc(S(=O)(=O)C3CCCCC3)c(NC(=O)Cc3ccc(C)cc3)cc21
InChIInChI=1S/C26H33N3O4S/c1-4-28-22-16-21(27-25(30)15-19-13-11-18(3)12-14-19)24(17-23(22)29(5-2)26(28)31)34(32,33)20-9-7-6-8-10-20/h11-14,16-17,20H,4-10,15H2,1-3H3,(H,27,30)
InChIKeyGPHLDCIHDKDVCX-UHFFFAOYSA-N
MW483.63 g/mol
LogP4.44
Rot. Bonds7

About N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenyl)acetamide

N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenyl)acetamide (PubChem CID 50824133) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenyl)acetamide
PubChem CID50824133
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC NameN-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenyl)acetamide
SMILESCCn1c(=O)n(CC)c2cc(S(=O)(=O)C3CCCCC3)c(NC(=O)Cc3ccc(C)cc3)cc21
InChIInChI=1S/C26H33N3O4S/c1-4-28-22-16-21(27-25(30)15-19-13-11-18(3)12-14-19)24(17-23(22)29(5-2)26(28)31)34(32,33)20-9-7-6-8-10-20/h11-14,16-17,20H,4-10,15H2,1-3H3,(H,27,30)
InChIKeyGPHLDCIHDKDVCX-UHFFFAOYSA-N
XLogP4.44
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(7-cyclohexylsulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-(4-methylphenyl)acetamide
CID 50824157
N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)acetamide
CID 50824412
N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide
CID 50824365
N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2,6-difluorobenzamide
CID 50824132
4-chloro-N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide
CID 50824181
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
N-[1,3-diethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methoxybenzamide
CID 50824131
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide
CID 52662712
N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-2-methylpropanamide
CID 50824118
2-(4-methylphenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 16563389
N-(4-cyclopentylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55610639
1-ethyl-N-(4-fluorophenyl)-5-[[2-(4-methylphenyl)acetyl]amino]-2-oxoquinoline-3-carboxamide
CID 118001712

Frequently Asked Questions

What is the IUPAC name of N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenyl)acetamide?
The IUPAC name of N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenyl)acetamide (CID 50824133) is N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenyl)acetamide is CCn1c(=O)n(CC)c2cc(S(=O)(=O)C3CCCCC3)c(NC(=O)Cc3ccc(C)cc3)cc21.
What is the InChIKey of N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenyl)acetamide?
The InChIKey is GPHLDCIHDKDVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-4-28-22-16-21(27-25(30)15-19-13-11-18(3)12-14-19)24(17-23(22)29(5-2)26(28)31)34(32,33)20-9-7-6-8-10-20/h11-14,16-17,20H,4-10,15H2,1-3H3,(H,27,30).
What are the key properties of N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenyl)acetamide?
N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenyl)acetamide has a molecular weight of 483.63 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 50824133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).