3-(4-methylphenyl)sulfanyl-N-(2-methylprop-2-enyl)propanamide

C14H19NOS — CID 114618833

IUPAC3-(4-methylphenyl)sulfanyl-N-(2-methylprop-2-enyl)propanamide
SMILESC=C(C)CNC(=O)CCSc1ccc(C)cc1
InChIInChI=1S/C14H19NOS/c1-11(2)10-15-14(16)8-9-17-13-6-4-12(3)5-7-13/h4-7H,1,8-10H2,2-3H3,(H,15,16)
InChIKeyVARYIVHYSNOKJS-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.17
Rot. Bonds6

About 3-(4-methylphenyl)sulfanyl-N-(2-methylprop-2-enyl)propanamide

3-(4-methylphenyl)sulfanyl-N-(2-methylprop-2-enyl)propanamide (PubChem CID 114618833) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfanyl-N-(2-methylprop-2-enyl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfanyl-N-(2-methylprop-2-enyl)propanamide
PubChem CID114618833
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name3-(4-methylphenyl)sulfanyl-N-(2-methylprop-2-enyl)propanamide
SMILESC=C(C)CNC(=O)CCSc1ccc(C)cc1
InChIInChI=1S/C14H19NOS/c1-11(2)10-15-14(16)8-9-17-13-6-4-12(3)5-7-13/h4-7H,1,8-10H2,2-3H3,(H,15,16)
InChIKeyVARYIVHYSNOKJS-UHFFFAOYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(4-methylphenyl)sulfanylpropanamide
CID 962016
N-(4-acetamidophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 23889516
3-(4-chlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 883208
5-[3-(4-methylphenyl)sulfanylpropanoylamino]pentanoic acid
CID 62032494
3-(4-methylphenyl)sulfanyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 51146119
N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 26796353
N-cyano-3-(4-methylphenyl)sulfanylpropanamide
CID 79194035
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(4-methylphenyl)sulfanylpropanamide
CID 107847155
3-(4-methylphenyl)sulfanyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385943
N-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 23861664
3-(4-chlorophenyl)sulfanyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 9224495
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 114751224

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfanyl-N-(2-methylprop-2-enyl)propanamide?
The IUPAC name of 3-(4-methylphenyl)sulfanyl-N-(2-methylprop-2-enyl)propanamide (CID 114618833) is 3-(4-methylphenyl)sulfanyl-N-(2-methylprop-2-enyl)propanamide.
What is the SMILES notation for 3-(4-methylphenyl)sulfanyl-N-(2-methylprop-2-enyl)propanamide?
The canonical SMILES for 3-(4-methylphenyl)sulfanyl-N-(2-methylprop-2-enyl)propanamide is C=C(C)CNC(=O)CCSc1ccc(C)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfanyl-N-(2-methylprop-2-enyl)propanamide?
The InChIKey is VARYIVHYSNOKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-11(2)10-15-14(16)8-9-17-13-6-4-12(3)5-7-13/h4-7H,1,8-10H2,2-3H3,(H,15,16).
What are the key properties of 3-(4-methylphenyl)sulfanyl-N-(2-methylprop-2-enyl)propanamide?
3-(4-methylphenyl)sulfanyl-N-(2-methylprop-2-enyl)propanamide has a molecular weight of 249.38 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfanyl-N-(2-methylprop-2-enyl)propanamide is sourced from PubChem (CID 114618833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).