2-benzylsulfonyl-N-(2-methoxyphenyl)acetamide

C16H17NO4S — CID 4306504

IUPAC2-benzylsulfonyl-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C16H17NO4S/c1-21-15-10-6-5-9-14(15)17-16(18)12-22(19,20)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyUBXOPBDCYCLHBP-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.25
Rot. Bonds6

About 2-benzylsulfonyl-N-(2-methoxyphenyl)acetamide

2-benzylsulfonyl-N-(2-methoxyphenyl)acetamide (PubChem CID 4306504) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-benzylsulfonyl-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-benzylsulfonyl-N-(2-methoxyphenyl)acetamide
PubChem CID4306504
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name2-benzylsulfonyl-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C16H17NO4S/c1-21-15-10-6-5-9-14(15)17-16(18)12-22(19,20)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyUBXOPBDCYCLHBP-UHFFFAOYSA-N
XLogP2.25
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(2-methoxyanilino)-2-oxoethyl]sulfonylmethyl]benzoate
CID 7731697
2-benzylsulfonyl-N-(2-chlorophenyl)acetamide
CID 4306506
2-[(3-methoxyphenyl)methylsulfonyl]-N-(2-methylphenyl)acetamide
CID 86989533
2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfonyl-N-phenylacetamide
CID 1180425
2-[(2-benzylsulfonylacetyl)amino]-N-tert-butylbenzamide
CID 17256954
2-[(3-bromophenyl)methylsulfonyl]-N-[2-(2-phenylethoxy)phenyl]acetamide
CID 60531511
N-(2-methoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide
CID 112998607
N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide
CID 7079
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
3-benzylsulfanyl-N-(2-methoxyphenyl)propanamide
CID 8797275
N-(5-acetamido-2-methoxyphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide
CID 46490267
N-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2599423

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-benzylsulfonyl-N-(2-methoxyphenyl)acetamide (CID 4306504) is 2-benzylsulfonyl-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-benzylsulfonyl-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-benzylsulfonyl-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CS(=O)(=O)Cc1ccccc1.
What is the InChIKey of 2-benzylsulfonyl-N-(2-methoxyphenyl)acetamide?
The InChIKey is UBXOPBDCYCLHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-21-15-10-6-5-9-14(15)17-16(18)12-22(19,20)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,17,18).
What are the key properties of 2-benzylsulfonyl-N-(2-methoxyphenyl)acetamide?
2-benzylsulfonyl-N-(2-methoxyphenyl)acetamide has a molecular weight of 319.38 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 4306504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).