N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]butanamide

C19H20FN3O4S — CID 50824381

IUPACN-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]butanamide
SMILESCCCC(=O)Nc1cc2c(cc1S(=O)(=O)c1ccc(F)cc1)n(C)c(=O)n2C
InChIInChI=1S/C19H20FN3O4S/c1-4-5-18(24)21-14-10-15-16(23(3)19(25)22(15)2)11-17(14)28(26,27)13-8-6-12(20)7-9-13/h6-11H,4-5H2,1-3H3,(H,21,24)
InChIKeyVOQLXCXXFYQXGS-UHFFFAOYSA-N
MW405.45 g/mol
LogP2.59
Rot. Bonds5

About N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]butanamide

N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]butanamide (PubChem CID 50824381) has the molecular formula C19H20FN3O4S and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]butanamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]butanamide
PubChem CID50824381
Molecular FormulaC19H20FN3O4S
Molecular Weight405.45 g/mol
Exact Mass405.12
IUPAC NameN-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]butanamide
SMILESCCCC(=O)Nc1cc2c(cc1S(=O)(=O)c1ccc(F)cc1)n(C)c(=O)n2C
InChIInChI=1S/C19H20FN3O4S/c1-4-5-18(24)21-14-10-15-16(23(3)19(25)22(15)2)11-17(14)28(26,27)13-8-6-12(20)7-9-13/h6-11H,4-5H2,1-3H3,(H,21,24)
InChIKeyVOQLXCXXFYQXGS-UHFFFAOYSA-N
XLogP2.59
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-phenylpropanamide
CID 50824169
2-(4-ethylphenoxy)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide
CID 50824264
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-[1,3-dimethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide
CID 50824237
N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide
CID 50824374
N-(5-fluoro-2-sulfamoylphenyl)butanamide
CID 61130555
4-chloro-N-[6-(4-methoxyphenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
CID 50824244
N-[2-(3,5-difluorophenyl)sulfonyl-5-(4-methyl-1,4-diazepan-1-yl)phenyl]butanamide
CID 90802798
N-[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]benzamide
CID 50824163
N-(2,4-dimethylphenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 2137119
2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 2137124

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]butanamide?
The IUPAC name of N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]butanamide (CID 50824381) is N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]butanamide.
What is the SMILES notation for N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]butanamide?
The canonical SMILES for N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]butanamide is CCCC(=O)Nc1cc2c(cc1S(=O)(=O)c1ccc(F)cc1)n(C)c(=O)n2C.
What is the InChIKey of N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]butanamide?
The InChIKey is VOQLXCXXFYQXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4S/c1-4-5-18(24)21-14-10-15-16(23(3)19(25)22(15)2)11-17(14)28(26,27)13-8-6-12(20)7-9-13/h6-11H,4-5H2,1-3H3,(H,21,24).
What are the key properties of N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]butanamide?
N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]butanamide has a molecular weight of 405.45 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]butanamide is sourced from PubChem (CID 50824381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).