2-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]acetamide

C17H19ClN2O3S — CID 982254

IUPAC2-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccc1Cl)Cc1ccccc1
InChIInChI=1S/C17H19ClN2O3S/c1-24(22,23)20(12-14-7-3-2-4-8-14)13-17(21)19-11-15-9-5-6-10-16(15)18/h2-10H,11-13H2,1H3,(H,19,21)
InChIKeyOXEKIWPZGOVUQC-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.42
Rot. Bonds7

About 2-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]acetamide

2-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]acetamide (PubChem CID 982254) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
PubChem CID982254
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name2-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccc1Cl)Cc1ccccc1
InChIInChI=1S/C17H19ClN2O3S/c1-24(22,23)20(12-14-7-3-2-4-8-14)13-17(21)19-11-15-9-5-6-10-16(15)18/h2-10H,11-13H2,1H3,(H,19,21)
InChIKeyOXEKIWPZGOVUQC-UHFFFAOYSA-N
XLogP2.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]acetamide (CID 982254) is 2-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]acetamide is CS(=O)(=O)N(CC(=O)NCc1ccccc1Cl)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]acetamide?
The InChIKey is OXEKIWPZGOVUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-24(22,23)20(12-14-7-3-2-4-8-14)13-17(21)19-11-15-9-5-6-10-16(15)18/h2-10H,11-13H2,1H3,(H,19,21).
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]acetamide?
2-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]acetamide has a molecular weight of 366.87 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 982254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).