2-[(3-methoxyphenyl)methylsulfonyl]-N-(2-methylphenyl)acetamide

C17H19NO4S — CID 86989533

IUPAC2-[(3-methoxyphenyl)methylsulfonyl]-N-(2-methylphenyl)acetamide
SMILESCOc1cccc(CS(=O)(=O)CC(=O)Nc2ccccc2C)c1
InChIInChI=1S/C17H19NO4S/c1-13-6-3-4-9-16(13)18-17(19)12-23(20,21)11-14-7-5-8-15(10-14)22-2/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyKAZXRFSVXZAPHZ-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.56
Rot. Bonds6

About 2-[(3-methoxyphenyl)methylsulfonyl]-N-(2-methylphenyl)acetamide

2-[(3-methoxyphenyl)methylsulfonyl]-N-(2-methylphenyl)acetamide (PubChem CID 86989533) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methylsulfonyl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methylsulfonyl]-N-(2-methylphenyl)acetamide
PubChem CID86989533
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name2-[(3-methoxyphenyl)methylsulfonyl]-N-(2-methylphenyl)acetamide
SMILESCOc1cccc(CS(=O)(=O)CC(=O)Nc2ccccc2C)c1
InChIInChI=1S/C17H19NO4S/c1-13-6-3-4-9-16(13)18-17(19)12-23(20,21)11-14-7-5-8-15(10-14)22-2/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyKAZXRFSVXZAPHZ-UHFFFAOYSA-N
XLogP2.56
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-methylphenyl)acetamide
CID 6622245
2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylphenyl)acetamide
CID 8794631
1-methoxy-3-[(3-methoxyphenyl)methylsulfonylmethyl]benzene
CID 20702839
N-(5-chloro-2-methylphenyl)-2-(3-methoxyphenyl)acetamide
CID 3576472
N-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfonyl]acetamide
CID 7731124
2-(benzenesulfonyl)-N-(4-methoxy-2-methylphenyl)acetamide
CID 3543556
N-(2,3-dimethylphenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000898
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 8792790
N'-(2,3-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948679
2-benzylsulfonyl-N-(2-chlorophenyl)acetamide
CID 4306506
1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(2-methylphenyl)urea
CID 17284912
N-(4-amino-2,5-dimethylphenyl)-2-(3-methoxyphenyl)acetamide
CID 103144419

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methylsulfonyl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(3-methoxyphenyl)methylsulfonyl]-N-(2-methylphenyl)acetamide (CID 86989533) is 2-[(3-methoxyphenyl)methylsulfonyl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3-methoxyphenyl)methylsulfonyl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(3-methoxyphenyl)methylsulfonyl]-N-(2-methylphenyl)acetamide is COc1cccc(CS(=O)(=O)CC(=O)Nc2ccccc2C)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methylsulfonyl]-N-(2-methylphenyl)acetamide?
The InChIKey is KAZXRFSVXZAPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-13-6-3-4-9-16(13)18-17(19)12-23(20,21)11-14-7-5-8-15(10-14)22-2/h3-10H,11-12H2,1-2H3,(H,18,19).
What are the key properties of 2-[(3-methoxyphenyl)methylsulfonyl]-N-(2-methylphenyl)acetamide?
2-[(3-methoxyphenyl)methylsulfonyl]-N-(2-methylphenyl)acetamide has a molecular weight of 333.41 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methylsulfonyl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 86989533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).