2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclohexylacetamide

C16H23ClN2O3S — CID 647018

IUPAC2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclohexylacetamide
SMILESCc1ccc(Cl)cc1N(CC(=O)NC1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C16H23ClN2O3S/c1-12-8-9-13(17)10-15(12)19(23(2,21)22)11-16(20)18-14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3,(H,18,20)
InChIKeyLBYQBZUYBMJSOH-UHFFFAOYSA-N
MW358.89 g/mol
LogP2.86
Rot. Bonds5

About 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclohexylacetamide

2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclohexylacetamide (PubChem CID 647018) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclohexylacetamide
PubChem CID647018
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC Name2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclohexylacetamide
SMILESCc1ccc(Cl)cc1N(CC(=O)NC1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C16H23ClN2O3S/c1-12-8-9-13(17)10-15(12)19(23(2,21)22)11-16(20)18-14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3,(H,18,20)
InChIKeyLBYQBZUYBMJSOH-UHFFFAOYSA-N
XLogP2.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclohexylacetamide?
The IUPAC name of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclohexylacetamide (CID 647018) is 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclohexylacetamide?
The canonical SMILES for 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclohexylacetamide is Cc1ccc(Cl)cc1N(CC(=O)NC1CCCCC1)S(C)(=O)=O.
What is the InChIKey of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclohexylacetamide?
The InChIKey is LBYQBZUYBMJSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c1-12-8-9-13(17)10-15(12)19(23(2,21)22)11-16(20)18-14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3,(H,18,20).
What are the key properties of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclohexylacetamide?
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclohexylacetamide has a molecular weight of 358.89 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclohexylacetamide is sourced from PubChem (CID 647018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).