2-benzylsulfonyl-N-[(2-methoxyphenyl)methyl]acetamide

C17H19NO4S — CID 977364

IUPAC2-benzylsulfonyl-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C17H19NO4S/c1-22-16-10-6-5-9-15(16)11-18-17(19)13-23(20,21)12-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,18,19)
InChIKeySZSSIXBQPNTQQR-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.93
Rot. Bonds7

About 2-benzylsulfonyl-N-[(2-methoxyphenyl)methyl]acetamide

2-benzylsulfonyl-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 977364) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-benzylsulfonyl-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfonyl-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID977364
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name2-benzylsulfonyl-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C17H19NO4S/c1-22-16-10-6-5-9-15(16)11-18-17(19)13-23(20,21)12-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,18,19)
InChIKeySZSSIXBQPNTQQR-UHFFFAOYSA-N
XLogP1.93
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-benzylsulfonyl-N-[(2-methoxyphenyl)methyl]acetamide (CID 977364) is 2-benzylsulfonyl-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-benzylsulfonyl-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-benzylsulfonyl-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CS(=O)(=O)Cc1ccccc1.
What is the InChIKey of 2-benzylsulfonyl-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is SZSSIXBQPNTQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-22-16-10-6-5-9-15(16)11-18-17(19)13-23(20,21)12-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,18,19).
What are the key properties of 2-benzylsulfonyl-N-[(2-methoxyphenyl)methyl]acetamide?
2-benzylsulfonyl-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 333.41 g/mol, XLogP of 1.93, 7 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)methyl]acetamide is sourced from PubChem (CID 977364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).