N-cyclohexyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide

C17H26N2O4S — CID 113151240

IUPACN-cyclohexyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
SMILESCOc1ccc(CN(CC(=O)NC2CCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H26N2O4S/c1-23-16-10-8-14(9-11-16)12-19(24(2,21)22)13-17(20)18-15-6-4-3-5-7-15/h8-11,15H,3-7,12-13H2,1-2H3,(H,18,20)
InChIKeyFLWJLMBEICGFPA-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.91
Rot. Bonds7

About N-cyclohexyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide

N-cyclohexyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide (PubChem CID 113151240) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
PubChem CID113151240
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-cyclohexyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
SMILESCOc1ccc(CN(CC(=O)NC2CCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H26N2O4S/c1-23-16-10-8-14(9-11-16)12-19(24(2,21)22)13-17(20)18-15-6-4-3-5-7-15/h8-11,15H,3-7,12-13H2,1-2H3,(H,18,20)
InChIKeyFLWJLMBEICGFPA-UHFFFAOYSA-N
XLogP1.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 113155209
N-tert-butyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151280
N-cyclopentyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152523
N-cyclohexyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138969
N-cyclohexyl-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126009784
N-[(4-methoxyphenyl)methyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113151239
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 133230723
(2S)-N-cyclohexyl-2-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100513525
N-cycloheptyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151851
N-cyclopentyl-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1095298
N-cyclohexyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152119
N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide
CID 71200548

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide?
The IUPAC name of N-cyclohexyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide (CID 113151240) is N-cyclohexyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide is COc1ccc(CN(CC(=O)NC2CCCCC2)S(C)(=O)=O)cc1.
What is the InChIKey of N-cyclohexyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide?
The InChIKey is FLWJLMBEICGFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-23-16-10-8-14(9-11-16)12-19(24(2,21)22)13-17(20)18-15-6-4-3-5-7-15/h8-11,15H,3-7,12-13H2,1-2H3,(H,18,20).
What are the key properties of N-cyclohexyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide?
N-cyclohexyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide has a molecular weight of 354.47 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 113151240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).