N-(4-acetyl-2-cyclohexyloxyphenyl)methanesulfonamide

C15H21NO4S — CID 57382000

IUPACN-(4-acetyl-2-cyclohexyloxyphenyl)methanesulfonamide
SMILESCC(=O)c1ccc(NS(C)(=O)=O)c(OC2CCCCC2)c1
InChIInChI=1S/C15H21NO4S/c1-11(17)12-8-9-14(16-21(2,18)19)15(10-12)20-13-6-4-3-5-7-13/h8-10,13,16H,3-7H2,1-2H3
InChIKeyCPLWBQNRPLOYIY-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.97
Rot. Bonds5

About N-(4-acetyl-2-cyclohexyloxyphenyl)methanesulfonamide

N-(4-acetyl-2-cyclohexyloxyphenyl)methanesulfonamide (PubChem CID 57382000) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is N-(4-acetyl-2-cyclohexyloxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-acetyl-2-cyclohexyloxyphenyl)methanesulfonamide
PubChem CID57382000
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC NameN-(4-acetyl-2-cyclohexyloxyphenyl)methanesulfonamide
SMILESCC(=O)c1ccc(NS(C)(=O)=O)c(OC2CCCCC2)c1
InChIInChI=1S/C15H21NO4S/c1-11(17)12-8-9-14(16-21(2,18)19)15(10-12)20-13-6-4-3-5-7-13/h8-10,13,16H,3-7H2,1-2H3
InChIKeyCPLWBQNRPLOYIY-UHFFFAOYSA-N
XLogP2.97
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(6-Cyclohexyloxy-1-oxo-indan-5-yl)-methanesulfonamide
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3-[2-[2-[4-(Methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]benzamide
CID 14645078
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CID 825957
N-(6-Cyclopentyloxy-1-oxo-indan-5-yl)-methanesulfonamide
CID 10662676
N-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide
CID 53547726
(E)-1-(4-amino-3-methoxyphenyl)-3-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)prop-2-en-1-one
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1-(4-Amino-3-butoxyphenyl)ethanone
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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-2-cyclohexyloxyphenyl)methanesulfonamide?
The IUPAC name of N-(4-acetyl-2-cyclohexyloxyphenyl)methanesulfonamide (CID 57382000) is N-(4-acetyl-2-cyclohexyloxyphenyl)methanesulfonamide.
What is the SMILES notation for N-(4-acetyl-2-cyclohexyloxyphenyl)methanesulfonamide?
The canonical SMILES for N-(4-acetyl-2-cyclohexyloxyphenyl)methanesulfonamide is CC(=O)c1ccc(NS(C)(=O)=O)c(OC2CCCCC2)c1.
What is the InChIKey of N-(4-acetyl-2-cyclohexyloxyphenyl)methanesulfonamide?
The InChIKey is CPLWBQNRPLOYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-11(17)12-8-9-14(16-21(2,18)19)15(10-12)20-13-6-4-3-5-7-13/h8-10,13,16H,3-7H2,1-2H3.
What are the key properties of N-(4-acetyl-2-cyclohexyloxyphenyl)methanesulfonamide?
N-(4-acetyl-2-cyclohexyloxyphenyl)methanesulfonamide has a molecular weight of 311.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-2-cyclohexyloxyphenyl)methanesulfonamide is sourced from PubChem (CID 57382000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).