3-cyclohexylsulfanyl-N-(4-methoxyphenyl)propanamide

C16H23NO2S — CID 23775391

IUPAC3-cyclohexylsulfanyl-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCSC2CCCCC2)cc1
InChIInChI=1S/C16H23NO2S/c1-19-14-9-7-13(8-10-14)17-16(18)11-12-20-15-5-3-2-4-6-15/h7-10,15H,2-6,11-12H2,1H3,(H,17,18)
InChIKeyOHNMDAMMXGQIPV-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.09
Rot. Bonds6

About 3-cyclohexylsulfanyl-N-(4-methoxyphenyl)propanamide

3-cyclohexylsulfanyl-N-(4-methoxyphenyl)propanamide (PubChem CID 23775391) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 3-cyclohexylsulfanyl-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-cyclohexylsulfanyl-N-(4-methoxyphenyl)propanamide
PubChem CID23775391
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name3-cyclohexylsulfanyl-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCSC2CCCCC2)cc1
InChIInChI=1S/C16H23NO2S/c1-19-14-9-7-13(8-10-14)17-16(18)11-12-20-15-5-3-2-4-6-15/h7-10,15H,2-6,11-12H2,1H3,(H,17,18)
InChIKeyOHNMDAMMXGQIPV-UHFFFAOYSA-N
XLogP4.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-N-(4-methoxyphenyl)propanamide
CID 835546
2-cyclopropyl-N-(4-methoxyphenyl)acetamide
CID 3008382
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
N-[4-(cycloheptylamino)phenyl]-2-(4-methoxyphenyl)acetamide
CID 112985000
3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 846817
4-(4-methoxyanilino)-4-oxobutanoyl chloride
CID 82041607
2-[cyclopentyl(2-hydroxyethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 60911412
2-cyclopentyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 9438651
2-[cyclohexyl(2-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide
CID 110923589
3-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)propanamide
CID 109032752
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9042272
6-(4-methoxyanilino)-6-oxohexanoic acid
CID 19422065

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylsulfanyl-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-cyclohexylsulfanyl-N-(4-methoxyphenyl)propanamide (CID 23775391) is 3-cyclohexylsulfanyl-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-cyclohexylsulfanyl-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-cyclohexylsulfanyl-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCSC2CCCCC2)cc1.
What is the InChIKey of 3-cyclohexylsulfanyl-N-(4-methoxyphenyl)propanamide?
The InChIKey is OHNMDAMMXGQIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-19-14-9-7-13(8-10-14)17-16(18)11-12-20-15-5-3-2-4-6-15/h7-10,15H,2-6,11-12H2,1H3,(H,17,18).
What are the key properties of 3-cyclohexylsulfanyl-N-(4-methoxyphenyl)propanamide?
3-cyclohexylsulfanyl-N-(4-methoxyphenyl)propanamide has a molecular weight of 293.43 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylsulfanyl-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 23775391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).