(2S)-2-(benzimidazol-1-yl)-N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]propanamide

C17H16FN3O2S — CID 97249332

IUPAC(2S)-2-(benzimidazol-1-yl)-N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc([S@](C)=O)c(F)c1)n1cnc2ccccc21
InChIInChI=1S/C17H16FN3O2S/c1-11(21-10-19-14-5-3-4-6-15(14)21)17(22)20-12-7-8-16(24(2)23)13(18)9-12/h3-11H,1-2H3,(H,20,22)/t11-,24-/m0/s1
InChIKeySPXDZVIFRJGBCH-BUBHHJDNSA-N
MW345.40 g/mol
LogP3.11
Rot. Bonds4

About (2S)-2-(benzimidazol-1-yl)-N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]propanamide

(2S)-2-(benzimidazol-1-yl)-N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]propanamide (PubChem CID 97249332) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is (2S)-2-(benzimidazol-1-yl)-N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(benzimidazol-1-yl)-N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]propanamide
PubChem CID97249332
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name(2S)-2-(benzimidazol-1-yl)-N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc([S@](C)=O)c(F)c1)n1cnc2ccccc21
InChIInChI=1S/C17H16FN3O2S/c1-11(21-10-19-14-5-3-4-6-15(14)21)17(22)20-12-7-8-16(24(2)23)13(18)9-12/h3-11H,1-2H3,(H,20,22)/t11-,24-/m0/s1
InChIKeySPXDZVIFRJGBCH-BUBHHJDNSA-N
XLogP3.11
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(benzimidazol-1-yl)-N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]propanamide 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

2-(benzimidazol-1-yl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide
CID 42959453
(2S)-2-(benzimidazol-1-yl)-N-(4-methylsulfanylphenyl)propanamide
CID 39047094
(2R)-2-(benzimidazol-1-yl)-N-(1,3-benzodioxol-5-yl)propanamide
CID 39036581
2-(benzimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 46604605
(2R)-2-(benzimidazol-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 39059697
3-[2-(benzimidazol-1-yl)propanoylamino]-N,N-diethylbenzamide
CID 42893030
2-(benzimidazol-1-yl)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]propanamide
CID 43070770
2-(benzimidazol-1-yl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide
CID 48507866
2-(benzimidazol-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide
CID 43063903
N-benzhydryl-2-(benzimidazol-1-yl)propanamide
CID 112781098
(2S)-2-(benzimidazol-1-yl)-N-(4-oxo-1H-pyridin-3-yl)propanamide
CID 94151702
(2S)-2-(benzimidazol-1-yl)-N-prop-2-enylpropanamide
CID 39041110

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzimidazol-1-yl)-N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]propanamide?
The IUPAC name of (2S)-2-(benzimidazol-1-yl)-N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]propanamide (CID 97249332) is (2S)-2-(benzimidazol-1-yl)-N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]propanamide.
What is the SMILES notation for (2S)-2-(benzimidazol-1-yl)-N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]propanamide?
The canonical SMILES for (2S)-2-(benzimidazol-1-yl)-N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]propanamide is C[C@@H](C(=O)Nc1ccc([S@](C)=O)c(F)c1)n1cnc2ccccc21.
What is the InChIKey of (2S)-2-(benzimidazol-1-yl)-N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]propanamide?
The InChIKey is SPXDZVIFRJGBCH-BUBHHJDNSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-11(21-10-19-14-5-3-4-6-15(14)21)17(22)20-12-7-8-16(24(2)23)13(18)9-12/h3-11H,1-2H3,(H,20,22)/t11-,24-/m0/s1.
What are the key properties of (2S)-2-(benzimidazol-1-yl)-N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]propanamide?
(2S)-2-(benzimidazol-1-yl)-N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]propanamide has a molecular weight of 345.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzimidazol-1-yl)-N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]propanamide is sourced from PubChem (CID 97249332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).