N-(1-cyclohexylpropyl)-2-sulfanylbenzamide

C16H23NOS — CID 107028366

IUPACN-(1-cyclohexylpropyl)-2-sulfanylbenzamide
SMILESCCC(NC(=O)c1ccccc1S)C1CCCCC1
InChIInChI=1S/C16H23NOS/c1-2-14(12-8-4-3-5-9-12)17-16(18)13-10-6-7-11-15(13)19/h6-7,10-12,14,19H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyZPTXATYMXMZDBC-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.06
Rot. Bonds4

About N-(1-cyclohexylpropyl)-2-sulfanylbenzamide

N-(1-cyclohexylpropyl)-2-sulfanylbenzamide (PubChem CID 107028366) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is N-(1-cyclohexylpropyl)-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-(1-cyclohexylpropyl)-2-sulfanylbenzamide
PubChem CID107028366
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC NameN-(1-cyclohexylpropyl)-2-sulfanylbenzamide
SMILESCCC(NC(=O)c1ccccc1S)C1CCCCC1
InChIInChI=1S/C16H23NOS/c1-2-14(12-8-4-3-5-9-12)17-16(18)13-10-6-7-11-15(13)19/h6-7,10-12,14,19H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyZPTXATYMXMZDBC-UHFFFAOYSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyclohexylpropyl)-2,5-dihydroxybenzamide
CID 107722905
N-(1-cyclohexylpropyl)-2-hydroxy-4-methylbenzamide
CID 63527141
N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride
CID 119588952
N-(1-cyclohexylpropyl)-2,3-difluoropyridine-4-carboxamide
CID 105381145
N-(1-cyclohexylpropyl)-2-hydrazinyl-5-methylbenzamide
CID 62512835
N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
CID 81487183
5-chloro-N-(1-cyclohexylpropyl)-2-(methylamino)benzamide
CID 63499195
N-(2-amino-1-cyclohexylethyl)-2-iodobenzamide
CID 81487660
4-carbamothioyl-N-(1-cyclohexylpropyl)benzamide
CID 62405626
2-chloro-N-(1-cyclohexylpropyl)-2-phenylacetamide
CID 62407196
6-chloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide
CID 55069173
N-[(1R)-1-cyclohexylpropyl]-1,5-dimethylpyrazole-4-carboxamide
CID 95288937

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpropyl)-2-sulfanylbenzamide?
The IUPAC name of N-(1-cyclohexylpropyl)-2-sulfanylbenzamide (CID 107028366) is N-(1-cyclohexylpropyl)-2-sulfanylbenzamide.
What is the SMILES notation for N-(1-cyclohexylpropyl)-2-sulfanylbenzamide?
The canonical SMILES for N-(1-cyclohexylpropyl)-2-sulfanylbenzamide is CCC(NC(=O)c1ccccc1S)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylpropyl)-2-sulfanylbenzamide?
The InChIKey is ZPTXATYMXMZDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-2-14(12-8-4-3-5-9-12)17-16(18)13-10-6-7-11-15(13)19/h6-7,10-12,14,19H,2-5,8-9H2,1H3,(H,17,18).
What are the key properties of N-(1-cyclohexylpropyl)-2-sulfanylbenzamide?
N-(1-cyclohexylpropyl)-2-sulfanylbenzamide has a molecular weight of 277.43 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpropyl)-2-sulfanylbenzamide is sourced from PubChem (CID 107028366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).