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

C16H23ClN2O3S — CID 989288

IUPACN-[(2-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C16H23ClN2O3S/c1-23(21,22)19(14-8-3-2-4-9-14)12-16(20)18-11-13-7-5-6-10-15(13)17/h5-7,10,14H,2-4,8-9,11-12H2,1H3,(H,18,20)
InChIKeyFRWIZIXUSPIEON-UHFFFAOYSA-N
MW358.89 g/mol
LogP2.55
Rot. Bonds6

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

N-[(2-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide (PubChem CID 989288) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide
PubChem CID989288
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C16H23ClN2O3S/c1-23(21,22)19(14-8-3-2-4-9-14)12-16(20)18-11-13-7-5-6-10-15(13)17/h5-7,10,14H,2-4,8-9,11-12H2,1H3,(H,18,20)
InChIKeyFRWIZIXUSPIEON-UHFFFAOYSA-N
XLogP2.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide (CID 989288) is N-[(2-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide is CS(=O)(=O)N(CC(=O)NCc1ccccc1Cl)C1CCCCC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide?
The InChIKey is FRWIZIXUSPIEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c1-23(21,22)19(14-8-3-2-4-9-14)12-16(20)18-11-13-7-5-6-10-15(13)17/h5-7,10,14H,2-4,8-9,11-12H2,1H3,(H,18,20).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide?
N-[(2-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide has a molecular weight of 358.89 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 989288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).