N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfonylpropanamide

C18H18FN3O4S — CID 49168885

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfonylpropanamide
SMILESCC(C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O4S/c1-11(27(25,26)14-7-4-12(19)5-8-14)17(23)20-13-6-9-15-16(10-13)22(3)18(24)21(15)2/h4-11H,1-3H3,(H,20,23)
InChIKeyNEIFJLGGRNMZAC-UHFFFAOYSA-N
MW391.42 g/mol
LogP1.82
Rot. Bonds4

About N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfonylpropanamide

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfonylpropanamide (PubChem CID 49168885) has the molecular formula C18H18FN3O4S and a molecular weight of 391.42 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfonylpropanamide
PubChem CID49168885
Molecular FormulaC18H18FN3O4S
Molecular Weight391.42 g/mol
Exact Mass391.10
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfonylpropanamide
SMILESCC(C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O4S/c1-11(27(25,26)14-7-4-12(19)5-8-14)17(23)20-13-6-9-15-16(10-13)22(3)18(24)21(15)2/h4-11H,1-3H3,(H,20,23)
InChIKeyNEIFJLGGRNMZAC-UHFFFAOYSA-N
XLogP1.82
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 55811495
(2R)-2-amino-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide;hydrochloride
CID 119309194
(2S)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)-2-morpholin-4-ylacetamide
CID 93242397
(2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(N-methylsulfonylanilino)propanamide
CID 7421558
2-(4-fluorophenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55810917
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide
CID 121239966
(2R)-2-(4-fluorophenyl)sulfonylpropanoic acid
CID 28753557
(2S)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 40976069
2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-fluoro-4-methylphenyl)acetamide
CID 50784533
(2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxyphenoxy)propanamide
CID 92686106
N-[(4-fluorophenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 39886481
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-fluorobenzenesulfonamide
CID 110785413

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfonylpropanamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfonylpropanamide (CID 49168885) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfonylpropanamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfonylpropanamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfonylpropanamide is CC(C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfonylpropanamide?
The InChIKey is NEIFJLGGRNMZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O4S/c1-11(27(25,26)14-7-4-12(19)5-8-14)17(23)20-13-6-9-15-16(10-13)22(3)18(24)21(15)2/h4-11H,1-3H3,(H,20,23).
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfonylpropanamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfonylpropanamide has a molecular weight of 391.42 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfonylpropanamide is sourced from PubChem (CID 49168885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).