N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide

C16H22F2N2O3S — CID 113065838

IUPACN-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide
SMILESCS(=O)(=O)N(CCNC(=O)c1ccc(F)c(F)c1)C1CCCCC1
InChIInChI=1S/C16H22F2N2O3S/c1-24(22,23)20(13-5-3-2-4-6-13)10-9-19-16(21)12-7-8-14(17)15(18)11-12/h7-8,11,13H,2-6,9-10H2,1H3,(H,19,21)
InChIKeyKDWVYKJNXGJCGM-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.29
Rot. Bonds6

About N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide

N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide (PubChem CID 113065838) has the molecular formula C16H22F2N2O3S and a molecular weight of 360.43 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide
PubChem CID113065838
Molecular FormulaC16H22F2N2O3S
Molecular Weight360.43 g/mol
Exact Mass360.13
IUPAC NameN-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide
SMILESCS(=O)(=O)N(CCNC(=O)c1ccc(F)c(F)c1)C1CCCCC1
InChIInChI=1S/C16H22F2N2O3S/c1-24(22,23)20(13-5-3-2-4-6-13)10-9-19-16(21)12-7-8-14(17)15(18)11-12/h7-8,11,13H,2-6,9-10H2,1H3,(H,19,21)
InChIKeyKDWVYKJNXGJCGM-UHFFFAOYSA-N
XLogP2.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.29
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-[5-[cyclohexyl(methyl)amino]pentyl]-3,4-difluorobenzamide
CID 110445656
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 113065137
2-(4-chlorophenyl)-N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]acetamide
CID 113068149
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113065842
2-chloro-N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]benzamide
CID 113068154
N-[2-[butyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide
CID 113065382
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-ethylbutanamide
CID 113068127
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide
CID 113068124
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]cyclopropanecarboxamide
CID 113065794
N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide
CID 113065694
3,4-difluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]benzamide
CID 113072565

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide?
The IUPAC name of N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide (CID 113065838) is N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide is CS(=O)(=O)N(CCNC(=O)c1ccc(F)c(F)c1)C1CCCCC1.
What is the InChIKey of N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide?
The InChIKey is KDWVYKJNXGJCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O3S/c1-24(22,23)20(13-5-3-2-4-6-13)10-9-19-16(21)12-7-8-14(17)15(18)11-12/h7-8,11,13H,2-6,9-10H2,1H3,(H,19,21).
What are the key properties of N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide?
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide has a molecular weight of 360.43 g/mol, XLogP of 2.29, 6 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]-3,4-difluorobenzamide is sourced from PubChem (CID 113065838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).