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

C17H25FN2O3S — CID 113065842

IUPACN-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
SMILESCS(=O)(=O)N(CCNC(=O)Cc1cccc(F)c1)C1CCCCC1
InChIInChI=1S/C17H25FN2O3S/c1-24(22,23)20(16-8-3-2-4-9-16)11-10-19-17(21)13-14-6-5-7-15(18)12-14/h5-7,12,16H,2-4,8-11,13H2,1H3,(H,19,21)
InChIKeyKKGNNNDYDDPVJG-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.08
Rot. Bonds7

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

N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 113065842) has the molecular formula C17H25FN2O3S and a molecular weight of 356.46 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
PubChem CID113065842
Molecular FormulaC17H25FN2O3S
Molecular Weight356.46 g/mol
Exact Mass356.16
IUPAC NameN-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
SMILESCS(=O)(=O)N(CCNC(=O)Cc1cccc(F)c1)C1CCCCC1
InChIInChI=1S/C17H25FN2O3S/c1-24(22,23)20(16-8-3-2-4-9-16)11-10-19-17(21)13-14-6-5-7-15(18)12-14/h5-7,12,16H,2-4,8-11,13H2,1H3,(H,19,21)
InChIKeyKKGNNNDYDDPVJG-UHFFFAOYSA-N
XLogP2.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113068164
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113065116
2-(4-chlorophenyl)-N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]acetamide
CID 113068149
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113069067
N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113068872
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide
CID 113065838
N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113069002
N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113072438
N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113065386
ethyl 4-[acetyl-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]amino]piperidine-1-carboxylate
CID 113056390
N-[2-(cycloheptylamino)ethyl]-2-(3-fluorophenyl)acetamide;hydrochloride
CID 119261120
2-(4-chlorophenyl)-N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide
CID 113065117

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide (CID 113065842) is N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide is CS(=O)(=O)N(CCNC(=O)Cc1cccc(F)c1)C1CCCCC1.
What is the InChIKey of N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is KKGNNNDYDDPVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3S/c1-24(22,23)20(16-8-3-2-4-9-16)11-10-19-17(21)13-14-6-5-7-15(18)12-14/h5-7,12,16H,2-4,8-11,13H2,1H3,(H,19,21).
What are the key properties of N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide?
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 356.46 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 113065842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).