N-cyclohexyl-N-ethyl-2-(4-fluorophenyl)sulfanylacetamide

C16H22FNOS — CID 67375174

IUPACN-cyclohexyl-N-ethyl-2-(4-fluorophenyl)sulfanylacetamide
SMILESCCN(C(=O)CSc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C16H22FNOS/c1-2-18(14-6-4-3-5-7-14)16(19)12-20-15-10-8-13(17)9-11-15/h8-11,14H,2-7,12H2,1H3
InChIKeyGCEJSMDOPNFUJL-UHFFFAOYSA-N
MW295.42 g/mol
LogP4.10
Rot. Bonds5

About N-cyclohexyl-N-ethyl-2-(4-fluorophenyl)sulfanylacetamide

N-cyclohexyl-N-ethyl-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 67375174) has the molecular formula C16H22FNOS and a molecular weight of 295.42 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID67375174
Molecular FormulaC16H22FNOS
Molecular Weight295.42 g/mol
Exact Mass295.14
IUPAC NameN-cyclohexyl-N-ethyl-2-(4-fluorophenyl)sulfanylacetamide
SMILESCCN(C(=O)CSc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C16H22FNOS/c1-2-18(14-6-4-3-5-7-14)16(19)12-20-15-10-8-13(17)9-11-15/h8-11,14H,2-7,12H2,1H3
InChIKeyGCEJSMDOPNFUJL-UHFFFAOYSA-N
XLogP4.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-phenylsulfanyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 46877998
3-(Benzenesulfonyl)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 6459212
AC1Lgqzx
CID 875426
N-cyclohexyl-2-[(4-fluorophenyl)sulfanyl]acetamide
CID 893674
2-[(4-fluorophenyl)sulfanyl]-N-[2-(phenylsulfanyl)ethyl]acetamide
CID 2765499
2-(4-fluorophenyl)sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 51072581
N-cyclohexyl-2-(phenylsulfanyl)acetamide
CID 875390
Acetamide, 2-(phenylthio)-N-butyl-N-ethyl-
CID 2164695
2-(4-Fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 2200156
N-cyclopentyl-2-(4-fluorophenyl)sulfanylacetamide
CID 4640800
N-(1-cyanocyclohexyl)-2-[(4-fluorophenyl)sulfanyl]-N-methylacetamide
CID 8892716
n-(2-Cyanoethyl)-2-((2,5-difluorophenyl)thio)-N-methylacetamide
CID 43395533

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-(4-fluorophenyl)sulfanylacetamide (CID 67375174) is N-cyclohexyl-N-ethyl-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-(4-fluorophenyl)sulfanylacetamide is CCN(C(=O)CSc1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is GCEJSMDOPNFUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNOS/c1-2-18(14-6-4-3-5-7-14)16(19)12-20-15-10-8-13(17)9-11-15/h8-11,14H,2-7,12H2,1H3.
What are the key properties of N-cyclohexyl-N-ethyl-2-(4-fluorophenyl)sulfanylacetamide?
N-cyclohexyl-N-ethyl-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 295.42 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 67375174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).