N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxybenzamide

C22H21NO4S — CID 18096179

IUPACN-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxybenzamide
SMILESCC(NC(=O)c1cccc(Oc2ccccc2)c1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C22H21NO4S/c1-16(17-11-13-21(14-12-17)28(2,25)26)23-22(24)18-7-6-10-20(15-18)27-19-8-4-3-5-9-19/h3-16H,1-2H3,(H,23,24)
InChIKeyLSFZZVNEWHYPSO-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.37
Rot. Bonds6

About N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxybenzamide

N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxybenzamide (PubChem CID 18096179) has the molecular formula C22H21NO4S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxybenzamide
PubChem CID18096179
Molecular FormulaC22H21NO4S
Molecular Weight395.48 g/mol
Exact Mass395.12
IUPAC NameN-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxybenzamide
SMILESCC(NC(=O)c1cccc(Oc2ccccc2)c1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C22H21NO4S/c1-16(17-11-13-21(14-12-17)28(2,25)26)23-22(24)18-7-6-10-20(15-18)27-19-8-4-3-5-9-19/h3-16H,1-2H3,(H,23,24)
InChIKeyLSFZZVNEWHYPSO-UHFFFAOYSA-N
XLogP4.37
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxybenzamide 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

3-phenoxy-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 7582876
N-(1-phenylethyl)-3-pyrimidin-2-yloxybenzamide
CID 70703950
3-(difluoromethoxy)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 2537276
3-(2-phenoxyethoxy)-N-(1-phenylethyl)benzamide
CID 4954951
N-[1-(4-methylsulfonylphenyl)ethyl]-3-pyrazolidin-4-ylbenzamide
CID 133108046
(2S)-2-(N-methylsulfonyl-4-phenoxyanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 125086281
3-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenylmethoxybenzamide
CID 55433266
3-methoxy-4-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26958285
N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 17478939
N-pentan-3-yl-3-phenoxybenzamide
CID 2442055
4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26468106
6-N-[1-(4-methylsulfonylphenyl)ethyl]-2-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 25024948

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxybenzamide?
The IUPAC name of N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxybenzamide (CID 18096179) is N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxybenzamide.
What is the SMILES notation for N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxybenzamide?
The canonical SMILES for N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxybenzamide is CC(NC(=O)c1cccc(Oc2ccccc2)c1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxybenzamide?
The InChIKey is LSFZZVNEWHYPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4S/c1-16(17-11-13-21(14-12-17)28(2,25)26)23-22(24)18-7-6-10-20(15-18)27-19-8-4-3-5-9-19/h3-16H,1-2H3,(H,23,24).
What are the key properties of N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxybenzamide?
N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxybenzamide has a molecular weight of 395.48 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxybenzamide is sourced from PubChem (CID 18096179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).