(E)-N-(2,3-dimethylphenyl)-3-phenylsulfanylprop-2-enamide

C17H17NOS — CID 9069905

IUPAC(E)-N-(2,3-dimethylphenyl)-3-phenylsulfanylprop-2-enamide
SMILESCc1cccc(NC(=O)/C=C/Sc2ccccc2)c1C
InChIInChI=1S/C17H17NOS/c1-13-7-6-10-16(14(13)2)18-17(19)11-12-20-15-8-4-3-5-9-15/h3-12H,1-2H3,(H,18,19)/b12-11+
InChIKeyBTAGDEZVIBQLHI-VAWYXSNFSA-N
MW283.40 g/mol
LogP4.55
Rot. Bonds4

About (E)-N-(2,3-dimethylphenyl)-3-phenylsulfanylprop-2-enamide

(E)-N-(2,3-dimethylphenyl)-3-phenylsulfanylprop-2-enamide (PubChem CID 9069905) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is (E)-N-(2,3-dimethylphenyl)-3-phenylsulfanylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,3-dimethylphenyl)-3-phenylsulfanylprop-2-enamide
PubChem CID9069905
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name(E)-N-(2,3-dimethylphenyl)-3-phenylsulfanylprop-2-enamide
SMILESCc1cccc(NC(=O)/C=C/Sc2ccccc2)c1C
InChIInChI=1S/C17H17NOS/c1-13-7-6-10-16(14(13)2)18-17(19)11-12-20-15-8-4-3-5-9-15/h3-12H,1-2H3,(H,18,19)/b12-11+
InChIKeyBTAGDEZVIBQLHI-VAWYXSNFSA-N
XLogP4.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide
CID 9453588
methyl 4-methyl-3-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]benzoate
CID 9088297
N-(3-fluoro-4-methylphenyl)-3-phenylsulfanylprop-2-enamide
CID 84925586
[2-(3-chloro-2-methylanilino)-2-oxoethyl] (E)-3-phenylsulfanylprop-2-enoate
CID 8627275
ethyl N-(3-phenylsulfanylprop-2-enoyl)carbamate
CID 69128190
N-[2-methyl-3-(2-methylanilino)phenyl]-3-phenylprop-2-enamide
CID 139612240
N-(2,3-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 868674
(Z)-N-(2,3-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2163432
(E)-4-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 18896784
N-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 668253
N-(2-methoxyphenyl)-4-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]benzamide
CID 9083670
4-[(E)-3-(2,3-dimethylanilino)-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134061980

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,3-dimethylphenyl)-3-phenylsulfanylprop-2-enamide?
The IUPAC name of (E)-N-(2,3-dimethylphenyl)-3-phenylsulfanylprop-2-enamide (CID 9069905) is (E)-N-(2,3-dimethylphenyl)-3-phenylsulfanylprop-2-enamide.
What is the SMILES notation for (E)-N-(2,3-dimethylphenyl)-3-phenylsulfanylprop-2-enamide?
The canonical SMILES for (E)-N-(2,3-dimethylphenyl)-3-phenylsulfanylprop-2-enamide is Cc1cccc(NC(=O)/C=C/Sc2ccccc2)c1C.
What is the InChIKey of (E)-N-(2,3-dimethylphenyl)-3-phenylsulfanylprop-2-enamide?
The InChIKey is BTAGDEZVIBQLHI-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H17NOS/c1-13-7-6-10-16(14(13)2)18-17(19)11-12-20-15-8-4-3-5-9-15/h3-12H,1-2H3,(H,18,19)/b12-11+.
What are the key properties of (E)-N-(2,3-dimethylphenyl)-3-phenylsulfanylprop-2-enamide?
(E)-N-(2,3-dimethylphenyl)-3-phenylsulfanylprop-2-enamide has a molecular weight of 283.40 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,3-dimethylphenyl)-3-phenylsulfanylprop-2-enamide is sourced from PubChem (CID 9069905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).