2-(2-methylsulfonylphenyl)-N-(1-phenylethyl)acetamide

C17H19NO3S — CID 110438351

IUPAC2-(2-methylsulfonylphenyl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cc1ccccc1S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C17H19NO3S/c1-13(14-8-4-3-5-9-14)18-17(19)12-15-10-6-7-11-16(15)22(2,20)21/h3-11,13H,12H2,1-2H3,(H,18,19)
InChIKeyUASLCLDWPHCXCC-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.51
Rot. Bonds5

About 2-(2-methylsulfonylphenyl)-N-(1-phenylethyl)acetamide

2-(2-methylsulfonylphenyl)-N-(1-phenylethyl)acetamide (PubChem CID 110438351) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-(2-methylsulfonylphenyl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(2-methylsulfonylphenyl)-N-(1-phenylethyl)acetamide
PubChem CID110438351
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name2-(2-methylsulfonylphenyl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cc1ccccc1S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C17H19NO3S/c1-13(14-8-4-3-5-9-14)18-17(19)12-15-10-6-7-11-16(15)22(2,20)21/h3-11,13H,12H2,1-2H3,(H,18,19)
InChIKeyUASLCLDWPHCXCC-UHFFFAOYSA-N
XLogP2.51
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-1-yl-N-[(1S)-1-phenylethyl]acetamide
CID 1225206
2-(2,5-dimethyl-3-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 22303955
2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-(1-phenylethyl)acetamide
CID 133260926
N-[(2R)-2-(3-methylphenyl)propyl]-2-(2-methylsulfonylphenyl)acetamide
CID 100757668
2-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide
CID 30464380
2-anilino-N-(1-phenylethyl)acetamide
CID 54810260
3,3-dimethyl-N-(1-phenylethyl)butanamide
CID 5156149
2-(2-methylsulfonylphenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 110439791
2-[4-(aminomethyl)phenyl]-N-[(1R)-1-phenylethyl]acetamide
CID 107863936
2-[4-(2-methylpropyl)phenyl]-N-(1-phenylethyl)acetamide
CID 86249193
N-[(1R)-1-phenylethyl]-2-sulfanylacetamide
CID 130013972
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylphenyl)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(2-methylsulfonylphenyl)-N-(1-phenylethyl)acetamide (CID 110438351) is 2-(2-methylsulfonylphenyl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(2-methylsulfonylphenyl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(2-methylsulfonylphenyl)-N-(1-phenylethyl)acetamide is CC(NC(=O)Cc1ccccc1S(C)(=O)=O)c1ccccc1.
What is the InChIKey of 2-(2-methylsulfonylphenyl)-N-(1-phenylethyl)acetamide?
The InChIKey is UASLCLDWPHCXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-13(14-8-4-3-5-9-14)18-17(19)12-15-10-6-7-11-16(15)22(2,20)21/h3-11,13H,12H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-methylsulfonylphenyl)-N-(1-phenylethyl)acetamide?
2-(2-methylsulfonylphenyl)-N-(1-phenylethyl)acetamide has a molecular weight of 317.41 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylphenyl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 110438351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).