N-benzyl-2-(4-methylsulfonylphenyl)acetamide

C16H17NO3S — CID 110771278

IUPACN-benzyl-2-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C16H17NO3S/c1-21(19,20)15-9-7-13(8-10-15)11-16(18)17-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyHTMDWARSMQULAH-UHFFFAOYSA-N
MW303.38 g/mol
LogP1.95
Rot. Bonds5

About N-benzyl-2-(4-methylsulfonylphenyl)acetamide

N-benzyl-2-(4-methylsulfonylphenyl)acetamide (PubChem CID 110771278) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-benzyl-2-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-methylsulfonylphenyl)acetamide
PubChem CID110771278
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC NameN-benzyl-2-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C16H17NO3S/c1-21(19,20)15-9-7-13(8-10-15)11-16(18)17-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyHTMDWARSMQULAH-UHFFFAOYSA-N
XLogP1.95
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylsulfonylphenyl)methyl]-2-phenoxyacetamide
CID 110784498
N-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)benzamide
CID 60553593
2-(4-methylsulfonylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 5223974
N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771277
2-[4-[4-[2-(benzylamino)-2-oxoethyl]phenyl]phenyl]sulfonylacetic acid
CID 515148
N-benzyl-4-(4-methylsulfonylphenoxy)butanamide
CID 51096243
2-(4-methylsulfonylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 86286746
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
3-amino-3-methyl-N-[(4-methylsulfonylphenyl)methyl]butanamide
CID 64679667
N-benzyl-2-[[ethylamino-[2-(4-methylsulfonylphenyl)ethylamino]methylidene]amino]acetamide
CID 111613414
N-butyl-2-(4-methylsulfonylphenyl)acetamide
CID 110771261
N-(3-hydroxypropyl)-2-(4-methylsulfonylphenyl)acetamide
CID 98018394

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of N-benzyl-2-(4-methylsulfonylphenyl)acetamide (CID 110771278) is N-benzyl-2-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-benzyl-2-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-benzyl-2-(4-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1ccc(CC(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-(4-methylsulfonylphenyl)acetamide?
The InChIKey is HTMDWARSMQULAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-21(19,20)15-9-7-13(8-10-15)11-16(18)17-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,17,18).
What are the key properties of N-benzyl-2-(4-methylsulfonylphenyl)acetamide?
N-benzyl-2-(4-methylsulfonylphenyl)acetamide has a molecular weight of 303.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 110771278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).