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

C16H17NO4S — CID 41139632

IUPACN-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C16H17NO4S/c1-21-14-7-5-13(6-8-14)17-16(18)11-12-3-9-15(10-4-12)22(2,19)20/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyKRUIMRDIOHUIEA-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.28
Rot. Bonds5

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

N-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)acetamide (PubChem CID 41139632) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)acetamide
PubChem CID41139632
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC NameN-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C16H17NO4S/c1-21-14-7-5-13(6-8-14)17-16(18)11-12-3-9-15(10-4-12)22(2,19)20/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyKRUIMRDIOHUIEA-UHFFFAOYSA-N
XLogP2.28
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

barium(2+);bis(4-[[2-(4-methoxyphenyl)acetyl]amino]benzenesulfonate)
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N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)acetamide
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2-(4-methoxyphenyl)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide
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2-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 2597985
N-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]butanamide
CID 17202461
N-(4-cyanophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771370
N-[4-(2-chloroethyl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 114299189
N-[4-(2-aminoethyl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 28754535
2-(4-methoxyphenyl)-N-pyridin-4-ylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)acetamide (CID 41139632) is N-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)acetamide is COc1ccc(NC(=O)Cc2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)acetamide?
The InChIKey is KRUIMRDIOHUIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-21-14-7-5-13(6-8-14)17-16(18)11-12-3-9-15(10-4-12)22(2,19)20/h3-10H,11H2,1-2H3,(H,17,18).
What are the key properties of N-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)acetamide?
N-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)acetamide has a molecular weight of 319.38 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 41139632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).