N-(cyclohexylmethyl)-2-(4-hydroxyphenyl)sulfanylpropanamide

C16H23NO2S — CID 47262938

IUPACN-(cyclohexylmethyl)-2-(4-hydroxyphenyl)sulfanylpropanamide
SMILESCC(Sc1ccc(O)cc1)C(=O)NCC1CCCCC1
InChIInChI=1S/C16H23NO2S/c1-12(20-15-9-7-14(18)8-10-15)16(19)17-11-13-5-3-2-4-6-13/h7-10,12-13,18H,2-6,11H2,1H3,(H,17,19)
InChIKeyNGKXAMPYKMELKA-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.57
Rot. Bonds5

About N-(cyclohexylmethyl)-2-(4-hydroxyphenyl)sulfanylpropanamide

N-(cyclohexylmethyl)-2-(4-hydroxyphenyl)sulfanylpropanamide (PubChem CID 47262938) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(4-hydroxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(4-hydroxyphenyl)sulfanylpropanamide
PubChem CID47262938
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC NameN-(cyclohexylmethyl)-2-(4-hydroxyphenyl)sulfanylpropanamide
SMILESCC(Sc1ccc(O)cc1)C(=O)NCC1CCCCC1
InChIInChI=1S/C16H23NO2S/c1-12(20-15-9-7-14(18)8-10-15)16(19)17-11-13-5-3-2-4-6-13/h7-10,12-13,18H,2-6,11H2,1H3,(H,17,19)
InChIKeyNGKXAMPYKMELKA-UHFFFAOYSA-N
XLogP3.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-(4-hydroxyphenyl)sulfanylpropanamide
CID 47262934
N-(cyclohexylmethyl)-4-propan-2-ylsulfanylbenzamide
CID 55835118
2-(4-chlorophenyl)sulfanyl-N-(cyclohexylmethyl)butanamide
CID 133235793
N-(cyclohexylmethyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 46692270
(2R)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(cyclohexylmethyl)propanamide
CID 7633885
(2R)-N-(cyclohexylmethyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide
CID 27140282
N-(cyclopentylmethyl)-2-methylpropanamide
CID 58333395
(2S)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclohexylmethyl)propanamide
CID 7558904
N-(cyclohexylmethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 4783542
1-(cyclohexylmethyl)-3-(4-hydroxyphenyl)urea
CID 108902801
2-amino-N-(cyclohexylmethyl)propanamide
CID 43215382
(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide
CID 95900718

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(4-hydroxyphenyl)sulfanylpropanamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(4-hydroxyphenyl)sulfanylpropanamide (CID 47262938) is N-(cyclohexylmethyl)-2-(4-hydroxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(4-hydroxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(4-hydroxyphenyl)sulfanylpropanamide is CC(Sc1ccc(O)cc1)C(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(4-hydroxyphenyl)sulfanylpropanamide?
The InChIKey is NGKXAMPYKMELKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-12(20-15-9-7-14(18)8-10-15)16(19)17-11-13-5-3-2-4-6-13/h7-10,12-13,18H,2-6,11H2,1H3,(H,17,19).
What are the key properties of N-(cyclohexylmethyl)-2-(4-hydroxyphenyl)sulfanylpropanamide?
N-(cyclohexylmethyl)-2-(4-hydroxyphenyl)sulfanylpropanamide has a molecular weight of 293.43 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(4-hydroxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 47262938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).