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

C24H22FN3O4S — CID 50824169

IUPACN-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-phenylpropanamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)c3ccc(F)cc3)c(NC(=O)CCc3ccccc3)cc21
InChIInChI=1S/C24H22FN3O4S/c1-27-20-14-19(26-23(29)13-8-16-6-4-3-5-7-16)22(15-21(20)28(2)24(27)30)33(31,32)18-11-9-17(25)10-12-18/h3-7,9-12,14-15H,8,13H2,1-2H3,(H,26,29)
InChIKeyGIBKVVCRDCLWMM-UHFFFAOYSA-N
MW467.52 g/mol
LogP3.42
Rot. Bonds6

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

N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-phenylpropanamide (PubChem CID 50824169) has the molecular formula C24H22FN3O4S and a molecular weight of 467.52 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-phenylpropanamide
PubChem CID50824169
Molecular FormulaC24H22FN3O4S
Molecular Weight467.52 g/mol
Exact Mass467.13
IUPAC NameN-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-phenylpropanamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)c3ccc(F)cc3)c(NC(=O)CCc3ccccc3)cc21
InChIInChI=1S/C24H22FN3O4S/c1-27-20-14-19(26-23(29)13-8-16-6-4-3-5-7-16)22(15-21(20)28(2)24(27)30)33(31,32)18-11-9-17(25)10-12-18/h3-7,9-12,14-15H,8,13H2,1-2H3,(H,26,29)
InChIKeyGIBKVVCRDCLWMM-UHFFFAOYSA-N
XLogP3.42
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]butanamide
CID 50824381
2-(4-ethylphenoxy)-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide
CID 50824264
3-fluoro-N-[7-(4-fluorophenyl)sulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide
CID 50824297
N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 7751880
3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)propanamide
CID 18195960
3-(4-fluorophenyl)-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]propanamide
CID 87006959
N-(2-bromophenyl)-3-(4-fluorophenyl)propanamide
CID 51194781
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(4-methylphenyl)propanamide
CID 110778944
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(4-ethylphenyl)propanamide
CID 49170000
N-(2,5-difluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27444998
2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 2137124
methyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
CID 32989548

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-phenylpropanamide?
The IUPAC name of N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-phenylpropanamide (CID 50824169) is N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-phenylpropanamide?
The canonical SMILES for N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-phenylpropanamide is Cn1c(=O)n(C)c2cc(S(=O)(=O)c3ccc(F)cc3)c(NC(=O)CCc3ccccc3)cc21.
What is the InChIKey of N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-phenylpropanamide?
The InChIKey is GIBKVVCRDCLWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O4S/c1-27-20-14-19(26-23(29)13-8-16-6-4-3-5-7-16)22(15-21(20)28(2)24(27)30)33(31,32)18-11-9-17(25)10-12-18/h3-7,9-12,14-15H,8,13H2,1-2H3,(H,26,29).
What are the key properties of N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-phenylpropanamide?
N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-phenylpropanamide has a molecular weight of 467.52 g/mol, XLogP of 3.42, 6 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]-3-phenylpropanamide is sourced from PubChem (CID 50824169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).