N-[(4-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide

C16H23ClN2O3S — CID 989289

IUPACN-[(4-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C16H23ClN2O3S/c1-23(21,22)19(15-5-3-2-4-6-15)12-16(20)18-11-13-7-9-14(17)10-8-13/h7-10,15H,2-6,11-12H2,1H3,(H,18,20)
InChIKeyFPLLBZHLKVLIHJ-UHFFFAOYSA-N
MW358.89 g/mol
LogP2.55
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide

N-[(4-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide (PubChem CID 989289) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide
PubChem CID989289
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C16H23ClN2O3S/c1-23(21,22)19(15-5-3-2-4-6-15)12-16(20)18-11-13-7-9-14(17)10-8-13/h7-10,15H,2-6,11-12H2,1H3,(H,18,20)
InChIKeyFPLLBZHLKVLIHJ-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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Related Compounds

N-[(4-chlorophenyl)methyl]-3-[cycloheptyl(methylsulfonyl)amino]propanamide
CID 113140992
2-[cycloheptyl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113153055
2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 113147868
2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113147872
2-(4-chlorophenyl)-N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]acetamide
CID 113068149
2-[cyclohexyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 113149028
2-[cyclohexyl(methylsulfonyl)amino]-N-(2,5-dichlorophenyl)acetamide
CID 1021971
2-[cycloheptyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide
CID 113153062
N-[(4-chlorophenyl)methyl]-2-[cyclopentyl(2-hydroxyethyl)amino]acetamide
CID 60912428
2-(4-chlorophenyl)-N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide
CID 113065117
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 4025829
2-[cycloheptyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide
CID 113153101

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide (CID 989289) is N-[(4-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide is CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)C1CCCCC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide?
The InChIKey is FPLLBZHLKVLIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c1-23(21,22)19(15-5-3-2-4-6-15)12-16(20)18-11-13-7-9-14(17)10-8-13/h7-10,15H,2-6,11-12H2,1H3,(H,18,20).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide?
N-[(4-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-[(4-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 989289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).