(E)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(5-methylthiophen-2-yl)prop-2-enamide

C18H20N2O3S — CID 9429104

IUPAC(E)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)/C=C/c2ccc(C)s2)c1
InChIInChI=1S/C18H20N2O3S/c1-13-7-8-16(24-13)9-10-18(22)20(2)12-17(21)19-14-5-4-6-15(11-14)23-3/h4-11H,12H2,1-3H3,(H,19,21)/b10-9+
InChIKeyJNODTZWUCCSHIC-MDZDMXLPSA-N
MW344.44 g/mol
LogP3.18
Rot. Bonds6

About (E)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(5-methylthiophen-2-yl)prop-2-enamide

(E)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(5-methylthiophen-2-yl)prop-2-enamide (PubChem CID 9429104) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is (E)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(5-methylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(5-methylthiophen-2-yl)prop-2-enamide
PubChem CID9429104
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name(E)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)/C=C/c2ccc(C)s2)c1
InChIInChI=1S/C18H20N2O3S/c1-13-7-8-16(24-13)9-10-18(22)20(2)12-17(21)19-14-5-4-6-15(11-14)23-3/h4-11H,12H2,1-3H3,(H,19,21)/b10-9+
InChIKeyJNODTZWUCCSHIC-MDZDMXLPSA-N
XLogP3.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7936437
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 9418815
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
N-(3-methoxyphenyl)-2-[[2-(3-methoxyphenyl)sulfanylacetyl]-methylamino]acetamide
CID 35041592
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 17397125
N-(3-methoxyphenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide
CID 8682208
methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
CID 9418842
2-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198587
(E)-N-[2-(ethylamino)-2-oxoethyl]-3-(3-methoxyphenyl)-N-methylprop-2-enamide
CID 47255947
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3,3-diphenylpropanamide
CID 2594494
N-(3-methoxyphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464513
N-(3-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 8689446

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(5-methylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(5-methylthiophen-2-yl)prop-2-enamide (CID 9429104) is (E)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(5-methylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(5-methylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(5-methylthiophen-2-yl)prop-2-enamide is COc1cccc(NC(=O)CN(C)C(=O)/C=C/c2ccc(C)s2)c1.
What is the InChIKey of (E)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(5-methylthiophen-2-yl)prop-2-enamide?
The InChIKey is JNODTZWUCCSHIC-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-13-7-8-16(24-13)9-10-18(22)20(2)12-17(21)19-14-5-4-6-15(11-14)23-3/h4-11H,12H2,1-3H3,(H,19,21)/b10-9+.
What are the key properties of (E)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(5-methylthiophen-2-yl)prop-2-enamide?
(E)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(5-methylthiophen-2-yl)prop-2-enamide has a molecular weight of 344.44 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(5-methylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 9429104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).