N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide

C19H22FNO3S — CID 51959885

IUPACN-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
SMILESCCN(C(=O)c1cccc(CS(C)(=O)=O)c1)[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C19H22FNO3S/c1-4-21(14(2)16-8-10-18(20)11-9-16)19(22)17-7-5-6-15(12-17)13-25(3,23)24/h5-12,14H,4,13H2,1-3H3/t14-/m1/s1
InChIKeyGCMJKNROVZBDGS-CQSZACIVSA-N
MW363.45 g/mol
LogP3.59
Rot. Bonds6

About N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide

N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide (PubChem CID 51959885) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
PubChem CID51959885
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC NameN-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
SMILESCCN(C(=O)c1cccc(CS(C)(=O)=O)c1)[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C19H22FNO3S/c1-4-21(14(2)16-8-10-18(20)11-9-16)19(22)17-7-5-6-15(12-17)13-25(3,23)24/h5-12,14H,4,13H2,1-3H3/t14-/m1/s1
InChIKeyGCMJKNROVZBDGS-CQSZACIVSA-N
XLogP3.59
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide 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-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-pyrrol-1-ylbenzamide
CID 97028181
N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide
CID 34081623
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide
CID 9426942
N-ethyl-3-fluoro-N-propan-2-ylbenzamide;methane
CID 142548394
1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 87037661
N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60794877
1-(2,4-difluorophenyl)ethyl 3-(methylsulfonylmethyl)benzoate
CID 51124408
N-(4-fluorophenyl)sulfonyl-3-(methylsulfonylmethyl)benzamide
CID 110166612
N-[3-(diethylcarbamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 26313396
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylpentanamide
CID 78892655
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 86850077
N-cyclopropyl-N-[(2S,3R)-3-methylpentan-2-yl]-3-(methylsulfonylmethyl)benzamide
CID 95159368

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide (CID 51959885) is N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide is CCN(C(=O)c1cccc(CS(C)(=O)=O)c1)[C@H](C)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide?
The InChIKey is GCMJKNROVZBDGS-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22FNO3S/c1-4-21(14(2)16-8-10-18(20)11-9-16)19(22)17-7-5-6-15(12-17)13-25(3,23)24/h5-12,14H,4,13H2,1-3H3/t14-/m1/s1.
What are the key properties of N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide?
N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide has a molecular weight of 363.45 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 51959885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).