4-cyclohexyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide

C18H27NO2S — CID 71850129

IUPAC4-cyclohexyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
SMILESO=C(NCCSCCCO)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H27NO2S/c20-12-4-13-22-14-11-19-18(21)17-9-7-16(8-10-17)15-5-2-1-3-6-15/h7-10,15,20H,1-6,11-14H2,(H,19,21)
InChIKeyOJYQQRLHRICIAE-UHFFFAOYSA-N
MW321.49 g/mol
LogP3.58
Rot. Bonds8

About 4-cyclohexyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide

4-cyclohexyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide (PubChem CID 71850129) has the molecular formula C18H27NO2S and a molecular weight of 321.49 g/mol. Its IUPAC name is 4-cyclohexyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
PubChem CID71850129
Molecular FormulaC18H27NO2S
Molecular Weight321.49 g/mol
Exact Mass321.18
IUPAC Name4-cyclohexyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
SMILESO=C(NCCSCCCO)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H27NO2S/c20-12-4-13-22-14-11-19-18(21)17-9-7-16(8-10-17)15-5-2-1-3-6-15/h7-10,15,20H,1-6,11-14H2,(H,19,21)
InChIKeyOJYQQRLHRICIAE-UHFFFAOYSA-N
XLogP3.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-cyclohexyl-N-[2-(ethylamino)ethyl]benzamide
CID 119504655
4-acetamido-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
CID 103767468
2-[(4-cyclohexylbenzoyl)amino]acetic acid
CID 82485147
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-(methoxymethyl)benzamide
CID 103767369
4-cyclohexyl-N-(2,2,2-trifluoroethyl)benzamide
CID 8900200
N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopentanecarboxamide
CID 103767331
4-cyclohexyl-N'-methylbenzohydrazide
CID 116846851
4-cyclohexyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 18162781
3,5-difluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
CID 103767454
N-(2-amino-2-methylpropyl)-4-cyclohexylbenzamide;hydrochloride
CID 119625808
3-chloro-4-fluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
CID 103800743
4-bromo-3-fluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
CID 103800654

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide?
The IUPAC name of 4-cyclohexyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide (CID 71850129) is 4-cyclohexyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide.
What is the SMILES notation for 4-cyclohexyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide?
The canonical SMILES for 4-cyclohexyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide is O=C(NCCSCCCO)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-cyclohexyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide?
The InChIKey is OJYQQRLHRICIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2S/c20-12-4-13-22-14-11-19-18(21)17-9-7-16(8-10-17)15-5-2-1-3-6-15/h7-10,15,20H,1-6,11-14H2,(H,19,21).
What are the key properties of 4-cyclohexyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide?
4-cyclohexyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide has a molecular weight of 321.49 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide is sourced from PubChem (CID 71850129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).