2-(4-methylsulfanylphenyl)-N-prop-2-enylacetamide

C12H15NOS — CID 110771195

IUPAC2-(4-methylsulfanylphenyl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cc1ccc(SC)cc1
InChIInChI=1S/C12H15NOS/c1-3-8-13-12(14)9-10-4-6-11(15-2)7-5-10/h3-7H,1,8-9H2,2H3,(H,13,14)
InChIKeyCTJARSTYAHANKP-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.25
Rot. Bonds5

About 2-(4-methylsulfanylphenyl)-N-prop-2-enylacetamide

2-(4-methylsulfanylphenyl)-N-prop-2-enylacetamide (PubChem CID 110771195) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenyl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(4-methylsulfanylphenyl)-N-prop-2-enylacetamide
PubChem CID110771195
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name2-(4-methylsulfanylphenyl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cc1ccc(SC)cc1
InChIInChI=1S/C12H15NOS/c1-3-8-13-12(14)9-10-4-6-11(15-2)7-5-10/h3-7H,1,8-9H2,2H3,(H,13,14)
InChIKeyCTJARSTYAHANKP-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.25
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'-[(E)-(4-methylsulfanylphenyl)methylideneamino]-N-prop-2-enylpropanediamide
CID 94847475
2-(4-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 47380839
N-[2-oxo-2-(prop-2-enylamino)ethyl]-2-phenylacetamide
CID 9442349
2-(4-methylsulfanylphenyl)-N-propan-2-ylacetamide
CID 110771193
methyl 2-(4-methylsulfanylphenyl)acetate
CID 12067662
N-[2-[[ethylamino-(prop-2-enylamino)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide
CID 136925711
ethane;methyl 2-(4-methylsulfanylphenyl)acetate
CID 144684310
1-methylsulfanyl-4-prop-2-enylbenzene
CID 2760094
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methylsulfanylphenyl)acetamide
CID 115271343
2-(2,3-dihydro-1H-inden-5-yl)-N-prop-2-enylacetamide
CID 60645760
N-(1-hydroxy-2-methylprop-2-enyl)-2-(4-methylsulfanylphenyl)acetamide
CID 144564680
N-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)acetamide
CID 110771215

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylphenyl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(4-methylsulfanylphenyl)-N-prop-2-enylacetamide (CID 110771195) is 2-(4-methylsulfanylphenyl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(4-methylsulfanylphenyl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(4-methylsulfanylphenyl)-N-prop-2-enylacetamide is C=CCNC(=O)Cc1ccc(SC)cc1.
What is the InChIKey of 2-(4-methylsulfanylphenyl)-N-prop-2-enylacetamide?
The InChIKey is CTJARSTYAHANKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-3-8-13-12(14)9-10-4-6-11(15-2)7-5-10/h3-7H,1,8-9H2,2H3,(H,13,14).
What are the key properties of 2-(4-methylsulfanylphenyl)-N-prop-2-enylacetamide?
2-(4-methylsulfanylphenyl)-N-prop-2-enylacetamide has a molecular weight of 221.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylphenyl)-N-prop-2-enylacetamide is sourced from PubChem (CID 110771195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).