2-methyl-N-(4-methylphenyl)-3-sulfanylprop-2-enamide

C11H13NOS — CID 88971335

IUPAC2-methyl-N-(4-methylphenyl)-3-sulfanylprop-2-enamide
SMILESCC(=CS)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C11H13NOS/c1-8-3-5-10(6-4-8)12-11(13)9(2)7-14/h3-7,14H,1-2H3,(H,12,13)
InChIKeySLNIIWUKNBDPSG-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.77
Rot. Bonds2

About 2-methyl-N-(4-methylphenyl)-3-sulfanylprop-2-enamide

2-methyl-N-(4-methylphenyl)-3-sulfanylprop-2-enamide (PubChem CID 88971335) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-methyl-N-(4-methylphenyl)-3-sulfanylprop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylphenyl)-3-sulfanylprop-2-enamide
PubChem CID88971335
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name2-methyl-N-(4-methylphenyl)-3-sulfanylprop-2-enamide
SMILESCC(=CS)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C11H13NOS/c1-8-3-5-10(6-4-8)12-11(13)9(2)7-14/h3-7,14H,1-2H3,(H,12,13)
InChIKeySLNIIWUKNBDPSG-UHFFFAOYSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-methyl-N-(4-methylphenyl)-3-sulfanylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methylphenyl)acetamide
CID 7684
4-methyl-N-(4-methylphenyl)-2-oxopent-3-enamide
CID 53349566
3-(4-methoxyphenoxy)-2-methyl-N-(4-methylphenyl)prop-2-enamide
CID 67543829
methanamine;N-(4-methylphenyl)acetamide
CID 142152295
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
N-[4-[(4-amino-2-methyl-4-oxobut-2-enoyl)amino]phenyl]-2-methylbut-2-enediamide
CID 54379503
(2Z,4Z)-N,N'-bis(4-methylphenyl)-2,3,4,5-tetrapropylhexa-2,4-dienediamide
CID 101373282
(E)-2-ethenyl-N-(4-methylphenyl)but-2-enamide
CID 20735466
N-cyano-N'-(4-methylphenyl)oxamide
CID 79195305
(Z)-3-(4-formamido-3,5-dimethyl-1H-pyrrol-2-yl)-2-methyl-N-(4-methylphenyl)prop-2-enamide
CID 174165529
2-bromo-N-(4-methylphenyl)acetamide;ethane
CID 143583882
N-(4-fluorophenyl)acetamide;N-(4-methylphenyl)acetamide
CID 158705281

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylphenyl)-3-sulfanylprop-2-enamide?
The IUPAC name of 2-methyl-N-(4-methylphenyl)-3-sulfanylprop-2-enamide (CID 88971335) is 2-methyl-N-(4-methylphenyl)-3-sulfanylprop-2-enamide.
What is the SMILES notation for 2-methyl-N-(4-methylphenyl)-3-sulfanylprop-2-enamide?
The canonical SMILES for 2-methyl-N-(4-methylphenyl)-3-sulfanylprop-2-enamide is CC(=CS)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-methyl-N-(4-methylphenyl)-3-sulfanylprop-2-enamide?
The InChIKey is SLNIIWUKNBDPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-8-3-5-10(6-4-8)12-11(13)9(2)7-14/h3-7,14H,1-2H3,(H,12,13).
What are the key properties of 2-methyl-N-(4-methylphenyl)-3-sulfanylprop-2-enamide?
2-methyl-N-(4-methylphenyl)-3-sulfanylprop-2-enamide has a molecular weight of 207.30 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylphenyl)-3-sulfanylprop-2-enamide is sourced from PubChem (CID 88971335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).