2-(4-methylphenyl)sulfanylprop-2-enamide

C10H11NOS — CID 70098228

IUPAC2-(4-methylphenyl)sulfanylprop-2-enamide
SMILESC=C(Sc1ccc(C)cc1)C(N)=O
InChIInChI=1S/C10H11NOS/c1-7-3-5-9(6-4-7)13-8(2)10(11)12/h3-6H,2H2,1H3,(H2,11,12)
InChIKeyDCDDQMDFCANYCN-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.09
Rot. Bonds3

About 2-(4-methylphenyl)sulfanylprop-2-enamide

2-(4-methylphenyl)sulfanylprop-2-enamide (PubChem CID 70098228) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanylprop-2-enamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanylprop-2-enamide
PubChem CID70098228
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name2-(4-methylphenyl)sulfanylprop-2-enamide
SMILESC=C(Sc1ccc(C)cc1)C(N)=O
InChIInChI=1S/C10H11NOS/c1-7-3-5-9(6-4-7)13-8(2)10(11)12/h3-6H,2H2,1H3,(H2,11,12)
InChIKeyDCDDQMDFCANYCN-UHFFFAOYSA-N
XLogP2.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-methylphenyl)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

ethyl 2-(4-methylphenyl)sulfanylprop-2-enoate
CID 91875319
2-(4-methylphenyl)sulfanylprop-2-enal
CID 15627206
3-(4-methylphenyl)sulfanylprop-1-en-2-amine
CID 143815010
S-(4-methylphenyl) 3-methyl-2-methylidenebutanethioate
CID 102467151
S-(4-methylphenyl) 2-methylidenepentanethioate
CID 101096443
S-(4-methylphenyl) 2,2,2-trichloroethanethioate
CID 14947453
ethyl 2-(4-bromophenyl)sulfanylprop-2-enoate
CID 91875312
N-carbamoyl-2-(4-methylphenyl)sulfanylacetamide
CID 8752877
1,2-bis[(4-methylphenyl)sulfanyl]ethene-1,2-dithiol
CID 76564021
(4-methylphenyl) carbamimidothioate;hydrochloride
CID 167442713
carbonic acid;1,4-xylene
CID 89415214
(2R)-2-hydroxy-3-(4-methylphenyl)sulfanylbutanamide
CID 131851094

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanylprop-2-enamide?
The IUPAC name of 2-(4-methylphenyl)sulfanylprop-2-enamide (CID 70098228) is 2-(4-methylphenyl)sulfanylprop-2-enamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanylprop-2-enamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanylprop-2-enamide is C=C(Sc1ccc(C)cc1)C(N)=O.
What is the InChIKey of 2-(4-methylphenyl)sulfanylprop-2-enamide?
The InChIKey is DCDDQMDFCANYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-7-3-5-9(6-4-7)13-8(2)10(11)12/h3-6H,2H2,1H3,(H2,11,12).
What are the key properties of 2-(4-methylphenyl)sulfanylprop-2-enamide?
2-(4-methylphenyl)sulfanylprop-2-enamide has a molecular weight of 193.27 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanylprop-2-enamide is sourced from PubChem (CID 70098228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).