(Z)-N-methyl-N-(2-methylsulfanylacetyl)-3-phenylprop-2-enamide

C13H15NO2S — CID 10264083

IUPAC(Z)-N-methyl-N-(2-methylsulfanylacetyl)-3-phenylprop-2-enamide
SMILESCSCC(=O)N(C)C(=O)/C=C\c1ccccc1
InChIInChI=1S/C13H15NO2S/c1-14(13(16)10-17-2)12(15)9-8-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3/b9-8-
InChIKeyDUAHAAQSQOKADM-HJWRWDBZSA-N
MW249.34 g/mol
LogP2.05
Rot. Bonds4

About (Z)-N-methyl-N-(2-methylsulfanylacetyl)-3-phenylprop-2-enamide

(Z)-N-methyl-N-(2-methylsulfanylacetyl)-3-phenylprop-2-enamide (PubChem CID 10264083) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is (Z)-N-methyl-N-(2-methylsulfanylacetyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-methyl-N-(2-methylsulfanylacetyl)-3-phenylprop-2-enamide
PubChem CID10264083
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name(Z)-N-methyl-N-(2-methylsulfanylacetyl)-3-phenylprop-2-enamide
SMILESCSCC(=O)N(C)C(=O)/C=C\c1ccccc1
InChIInChI=1S/C13H15NO2S/c1-14(13(16)10-17-2)12(15)9-8-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3/b9-8-
InChIKeyDUAHAAQSQOKADM-HJWRWDBZSA-N
XLogP2.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(5Z)-5-benzylidene-3-methyl-2-thioxo-1,3-thiazolidin-4-one
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N,N-Dimethylcinnamamide
CID 5273476
N-[2-(tert-butylthio)ethyl]-3-(4-fluorophenyl)acrylamide
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N1-[2-(tert-butylthio)ethyl]-3-phenylacrylamide
CID 5713908
1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydropyridin-6-one
CID 60184708
Carbamothioic acid, diethyl-, S-(phenylmethyl) ester
CID 12595890
3-Allyl-5-(2-methyl-3-phenyl-allylidene)-2-thioxo-thiazolidin-4-one
CID 1720783
3-(5-Benzylidene-2,4-dioxothiazolidin-3-yl)propanenitrile
CID 5820198
(5Z)-3-[2-(dimethylamino)ethyl]-5-[(E)-4-phenylbut-3-enylidene]-1,3-thiazolidine-2,4-dione
CID 45485996

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-N-(2-methylsulfanylacetyl)-3-phenylprop-2-enamide?
The IUPAC name of (Z)-N-methyl-N-(2-methylsulfanylacetyl)-3-phenylprop-2-enamide (CID 10264083) is (Z)-N-methyl-N-(2-methylsulfanylacetyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N-methyl-N-(2-methylsulfanylacetyl)-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-N-methyl-N-(2-methylsulfanylacetyl)-3-phenylprop-2-enamide is CSCC(=O)N(C)C(=O)/C=C\c1ccccc1.
What is the InChIKey of (Z)-N-methyl-N-(2-methylsulfanylacetyl)-3-phenylprop-2-enamide?
The InChIKey is DUAHAAQSQOKADM-HJWRWDBZSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-14(13(16)10-17-2)12(15)9-8-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3/b9-8-.
What are the key properties of (Z)-N-methyl-N-(2-methylsulfanylacetyl)-3-phenylprop-2-enamide?
(Z)-N-methyl-N-(2-methylsulfanylacetyl)-3-phenylprop-2-enamide has a molecular weight of 249.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-N-(2-methylsulfanylacetyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 10264083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).