3-cyclohexyl-N-(4-sulfanylphenyl)propanamide

C15H21NOS — CID 27125888

IUPAC3-cyclohexyl-N-(4-sulfanylphenyl)propanamide
SMILESO=C(CCC1CCCCC1)Nc1ccc(S)cc1
InChIInChI=1S/C15H21NOS/c17-15(11-6-12-4-2-1-3-5-12)16-13-7-9-14(18)10-8-13/h7-10,12,18H,1-6,11H2,(H,16,17)
InChIKeySZROJZMXMOBYCR-UHFFFAOYSA-N
MW263.41 g/mol
LogP4.27
Rot. Bonds4

About 3-cyclohexyl-N-(4-sulfanylphenyl)propanamide

3-cyclohexyl-N-(4-sulfanylphenyl)propanamide (PubChem CID 27125888) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 3-cyclohexyl-N-(4-sulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(4-sulfanylphenyl)propanamide
PubChem CID27125888
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name3-cyclohexyl-N-(4-sulfanylphenyl)propanamide
SMILESO=C(CCC1CCCCC1)Nc1ccc(S)cc1
InChIInChI=1S/C15H21NOS/c17-15(11-6-12-4-2-1-3-5-12)16-13-7-9-14(18)10-8-13/h7-10,12,18H,1-6,11H2,(H,16,17)
InChIKeySZROJZMXMOBYCR-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 54.27
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

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3-cyclopentyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
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3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide
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CID 10803376
N-(3-amino-4-bromophenyl)-3-cyclohexylpropanamide
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N-(6-chloro-3-pyridinyl)-3-cyclohexylpropanamide
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N-(4-butylphenyl)-3-cyclopentylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(4-sulfanylphenyl)propanamide?
The IUPAC name of 3-cyclohexyl-N-(4-sulfanylphenyl)propanamide (CID 27125888) is 3-cyclohexyl-N-(4-sulfanylphenyl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(4-sulfanylphenyl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(4-sulfanylphenyl)propanamide is O=C(CCC1CCCCC1)Nc1ccc(S)cc1.
What is the InChIKey of 3-cyclohexyl-N-(4-sulfanylphenyl)propanamide?
The InChIKey is SZROJZMXMOBYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c17-15(11-6-12-4-2-1-3-5-12)16-13-7-9-14(18)10-8-13/h7-10,12,18H,1-6,11H2,(H,16,17).
What are the key properties of 3-cyclohexyl-N-(4-sulfanylphenyl)propanamide?
3-cyclohexyl-N-(4-sulfanylphenyl)propanamide has a molecular weight of 263.41 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(4-sulfanylphenyl)propanamide is sourced from PubChem (CID 27125888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).