2-[cyclohexyl(methyl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide

C16H22F2N2OS — CID 2464957

IUPAC2-[cyclohexyl(methyl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccc(SC(F)F)cc1)C1CCCCC1
InChIInChI=1S/C16H22F2N2OS/c1-20(13-5-3-2-4-6-13)11-15(21)19-12-7-9-14(10-8-12)22-16(17)18/h7-10,13,16H,2-6,11H2,1H3,(H,19,21)
InChIKeyAFOJHGWQAFYEGO-UHFFFAOYSA-N
MW328.43 g/mol
LogP4.20
Rot. Bonds6

About 2-[cyclohexyl(methyl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide

2-[cyclohexyl(methyl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide (PubChem CID 2464957) has the molecular formula C16H22F2N2OS and a molecular weight of 328.43 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
PubChem CID2464957
Molecular FormulaC16H22F2N2OS
Molecular Weight328.43 g/mol
Exact Mass328.14
IUPAC Name2-[cyclohexyl(methyl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccc(SC(F)F)cc1)C1CCCCC1
InChIInChI=1S/C16H22F2N2OS/c1-20(13-5-3-2-4-6-13)11-15(21)19-12-7-9-14(10-8-12)22-16(17)18/h7-10,13,16H,2-6,11H2,1H3,(H,19,21)
InChIKeyAFOJHGWQAFYEGO-UHFFFAOYSA-N
XLogP4.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide (CID 2464957) is 2-[cyclohexyl(methyl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide is CN(CC(=O)Nc1ccc(SC(F)F)cc1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is AFOJHGWQAFYEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2OS/c1-20(13-5-3-2-4-6-13)11-15(21)19-12-7-9-14(10-8-12)22-16(17)18/h7-10,13,16H,2-6,11H2,1H3,(H,19,21).
What are the key properties of 2-[cyclohexyl(methyl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
2-[cyclohexyl(methyl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 328.43 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 2464957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).