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

C16H23FN2O3S — CID 113149028

IUPAC2-[cyclohexyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccc1F)C1CCCCC1
InChIInChI=1S/C16H23FN2O3S/c1-23(21,22)19(14-8-3-2-4-9-14)12-16(20)18-11-13-7-5-6-10-15(13)17/h5-7,10,14H,2-4,8-9,11-12H2,1H3,(H,18,20)
InChIKeyRMHLWPHCGRHXGM-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.04
Rot. Bonds6

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

2-[cyclohexyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 113149028) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[cyclohexyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[cyclohexyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID113149028
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC Name2-[cyclohexyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccc1F)C1CCCCC1
InChIInChI=1S/C16H23FN2O3S/c1-23(21,22)19(14-8-3-2-4-9-14)12-16(20)18-11-13-7-5-6-10-15(13)17/h5-7,10,14H,2-4,8-9,11-12H2,1H3,(H,18,20)
InChIKeyRMHLWPHCGRHXGM-UHFFFAOYSA-N
XLogP2.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.04
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
2-[cycloheptyl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113153055
2-[cyclohexyl(2-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 110923577
N-[(4-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 989289
2-[cycloheptyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide
CID 113153062
2-[cyclopropyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 113147875
2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113154680
2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113147872
2-[tert-butyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 113152857
2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 60522802
N-[(2-fluorophenyl)methyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148460
2-[cyclohexyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 2111492

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[cyclohexyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide (CID 113149028) is 2-[cyclohexyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[cyclohexyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[cyclohexyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide is CS(=O)(=O)N(CC(=O)NCc1ccccc1F)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is RMHLWPHCGRHXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3S/c1-23(21,22)19(14-8-3-2-4-9-14)12-16(20)18-11-13-7-5-6-10-15(13)17/h5-7,10,14H,2-4,8-9,11-12H2,1H3,(H,18,20).
What are the key properties of 2-[cyclohexyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide?
2-[cyclohexyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 113149028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).