(E)-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C19H20N2O4S — CID 17444383

IUPAC(E)-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2sc(C)c(C)c2C#N)cc(OC)c1OC
InChIInChI=1S/C19H20N2O4S/c1-11-12(2)26-19(14(11)10-20)21-17(22)7-6-13-8-15(23-3)18(25-5)16(9-13)24-4/h6-9H,1-5H3,(H,21,22)/b7-6+
InChIKeyXZJRAIPPPLJSTI-VOTSOKGWSA-N
MW372.45 g/mol
LogP3.91
Rot. Bonds6

About (E)-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

(E)-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 17444383) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is (E)-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID17444383
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name(E)-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2sc(C)c(C)c2C#N)cc(OC)c1OC
InChIInChI=1S/C19H20N2O4S/c1-11-12(2)26-19(14(11)10-20)21-17(22)7-6-13-8-15(23-3)18(25-5)16(9-13)24-4/h6-9H,1-5H3,(H,21,22)/b7-6+
InChIKeyXZJRAIPPPLJSTI-VOTSOKGWSA-N
XLogP3.91
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 1395143
methyl 4-cyano-5-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-3-methylthiophene-2-carboxylate
CID 1220723
(E)-N-(3-cyanothiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 8914994
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 1220608
(E)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 1220609
(E)-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 55336620
(E)-3-(3-bromo-4,5-dimethoxyphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)prop-2-enamide
CID 108762822
N,3-bis(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 78566887
N-(cyanomethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 3488907
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-methylbut-2-enamide
CID 30659767
ethyl 4-methyl-5-(methylcarbamoyl)-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate
CID 27907554
2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 6159506

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 17444383) is (E)-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)Nc2sc(C)c(C)c2C#N)cc(OC)c1OC.
What is the InChIKey of (E)-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is XZJRAIPPPLJSTI-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-11-12(2)26-19(14(11)10-20)21-17(22)7-6-13-8-15(23-3)18(25-5)16(9-13)24-4/h6-9H,1-5H3,(H,21,22)/b7-6+.
What are the key properties of (E)-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 372.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 17444383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).