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

C24H23N3O4S — CID 50824163

IUPACN-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]benzamide
SMILESCCn1c(=O)n(CC)c2cc(S(=O)(=O)c3ccccc3)c(NC(=O)c3ccccc3)cc21
InChIInChI=1S/C24H23N3O4S/c1-3-26-20-15-19(25-23(28)17-11-7-5-8-12-17)22(16-21(20)27(4-2)24(26)29)32(30,31)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3,(H,25,28)
InChIKeyWIXPPCSQUDVOHV-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.93
Rot. Bonds6

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

N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]benzamide (PubChem CID 50824163) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]benzamide
PubChem CID50824163
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC NameN-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]benzamide
SMILESCCn1c(=O)n(CC)c2cc(S(=O)(=O)c3ccccc3)c(NC(=O)c3ccccc3)cc21
InChIInChI=1S/C24H23N3O4S/c1-3-26-20-15-19(25-23(28)17-11-7-5-8-12-17)22(16-21(20)27(4-2)24(26)29)32(30,31)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3,(H,25,28)
InChIKeyWIXPPCSQUDVOHV-UHFFFAOYSA-N
XLogP3.93
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide
CID 50824374
N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-2-methylpropanamide
CID 50824118
N-[1,3-diethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methoxybenzamide
CID 50824131
N-[1,3-diethyl-6-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methylbenzamide
CID 50820530
N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide
CID 50824365
2-chloro-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
CID 50824286
3-fluoro-N-[7-(4-fluorophenyl)sulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide
CID 50824297
N-(6-cyclohexylsulfonyl-1,3-diethyl-2-oxobenzimidazol-5-yl)-2,6-difluorobenzamide
CID 50824132
N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-phenylpropanamide
CID 50824169
4-chloro-N-[6-(4-methoxyphenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
CID 50824244
N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]butanamide
CID 50824381
N-[4-(benzenesulfonyl)-2,1,3-benzoxadiazol-7-yl]benzamide
CID 10691115

Frequently Asked Questions

What is the IUPAC name of N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]benzamide?
The IUPAC name of N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]benzamide (CID 50824163) is N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]benzamide.
What is the SMILES notation for N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]benzamide?
The canonical SMILES for N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]benzamide is CCn1c(=O)n(CC)c2cc(S(=O)(=O)c3ccccc3)c(NC(=O)c3ccccc3)cc21.
What is the InChIKey of N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]benzamide?
The InChIKey is WIXPPCSQUDVOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-3-26-20-15-19(25-23(28)17-11-7-5-8-12-17)22(16-21(20)27(4-2)24(26)29)32(30,31)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3,(H,25,28).
What are the key properties of N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]benzamide?
N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]benzamide has a molecular weight of 449.53 g/mol, XLogP of 3.93, 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]benzamide is sourced from PubChem (CID 50824163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).