2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide

C16H24N2O4S — CID 954156

IUPAC2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)c1
InChIInChI=1S/C16H24N2O4S/c1-22-15-10-6-7-13(11-15)17-16(19)12-18(23(2,20)21)14-8-4-3-5-9-14/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3,(H,17,19)
InChIKeyJGZXYCGXRNUOPG-UHFFFAOYSA-N
MW340.44 g/mol
LogP2.23
Rot. Bonds6

About 2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide

2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide (PubChem CID 954156) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is 2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
PubChem CID954156
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)c1
InChIInChI=1S/C16H24N2O4S/c1-22-15-10-6-7-13(11-15)17-16(19)12-18(23(2,20)21)14-8-4-3-5-9-14/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3,(H,17,19)
InChIKeyJGZXYCGXRNUOPG-UHFFFAOYSA-N
XLogP2.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[2-[cycloheptyl(methylsulfonyl)amino]acetyl]amino]benzoate
CID 113153154
2-[cycloheptyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113153145
2-[cyclopentyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113148963
2-[cyclohexyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 2111492
N-(3-methoxyphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464513
2-[cyclopentyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113148921
2-[cycloheptyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide
CID 113153101
2-[cyclopentyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 113148937
2-[cycloheptyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 113153161
methyl 4-[[2-[cyclopentyl(methylsulfonyl)amino]acetyl]amino]benzoate
CID 113148971
2-[ethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 47121758
N-cycloheptyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 26624583

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide (CID 954156) is 2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)c1.
What is the InChIKey of 2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is JGZXYCGXRNUOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-22-15-10-6-7-13(11-15)17-16(19)12-18(23(2,20)21)14-8-4-3-5-9-14/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3,(H,17,19).
What are the key properties of 2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide?
2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 340.44 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 954156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).