(E)-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-propylprop-2-enamide

C19H23N3O3S — CID 55485693

IUPAC(E)-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-propylprop-2-enamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)C(=O)/C=C/c1csc(C)n1
InChIInChI=1S/C19H23N3O3S/c1-4-11-22(19(24)10-9-15-13-26-14(2)20-15)12-18(23)21-16-7-5-6-8-17(16)25-3/h5-10,13H,4,11-12H2,1-3H3,(H,21,23)/b10-9+
InChIKeyGTKMCJXFSPQCSL-MDZDMXLPSA-N
MW373.48 g/mol
LogP3.35
Rot. Bonds8

About (E)-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-propylprop-2-enamide

(E)-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-propylprop-2-enamide (PubChem CID 55485693) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is (E)-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-propylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-propylprop-2-enamide
PubChem CID55485693
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name(E)-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-propylprop-2-enamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)C(=O)/C=C/c1csc(C)n1
InChIInChI=1S/C19H23N3O3S/c1-4-11-22(19(24)10-9-15-13-26-14(2)20-15)12-18(23)21-16-7-5-6-8-17(16)25-3/h5-10,13H,4,11-12H2,1-3H3,(H,21,23)/b10-9+
InChIKeyGTKMCJXFSPQCSL-MDZDMXLPSA-N
XLogP3.35
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-bromophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide
CID 76856671
(E)-3-(2,6-difluorophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide
CID 55754734
2-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide
CID 119267704
2-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 49318199
N-(2-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29453114
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
CID 55328635
4-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbutanamide
CID 119267716
methyl 3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
CID 57148702
2-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpentanamide;hydrochloride
CID 119267711
(E)-3-(5-bromofuran-2-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide
CID 31974354
2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 9199505
3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide
CID 113115042

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-propylprop-2-enamide?
The IUPAC name of (E)-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-propylprop-2-enamide (CID 55485693) is (E)-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-propylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-propylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-propylprop-2-enamide is CCCN(CC(=O)Nc1ccccc1OC)C(=O)/C=C/c1csc(C)n1.
What is the InChIKey of (E)-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-propylprop-2-enamide?
The InChIKey is GTKMCJXFSPQCSL-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-4-11-22(19(24)10-9-15-13-26-14(2)20-15)12-18(23)21-16-7-5-6-8-17(16)25-3/h5-10,13H,4,11-12H2,1-3H3,(H,21,23)/b10-9+.
What are the key properties of (E)-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-propylprop-2-enamide?
(E)-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-propylprop-2-enamide has a molecular weight of 373.48 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-propylprop-2-enamide is sourced from PubChem (CID 55485693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).