(E)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide

C17H17ClN2O3S — CID 55375827

IUPAC(E)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)/C=C/c1ccsc1
InChIInChI=1S/C17H17ClN2O3S/c1-20(17(22)6-3-12-7-8-24-11-12)10-16(21)19-14-9-13(18)4-5-15(14)23-2/h3-9,11H,10H2,1-2H3,(H,19,21)/b6-3+
InChIKeyHNNNMJHSQUCFRT-ZZXKWVIFSA-N
MW364.85 g/mol
LogP3.52
Rot. Bonds6

About (E)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide

(E)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide (PubChem CID 55375827) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is (E)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide
PubChem CID55375827
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name(E)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)/C=C/c1ccsc1
InChIInChI=1S/C17H17ClN2O3S/c1-20(17(22)6-3-12-7-8-24-11-12)10-16(21)19-14-9-13(18)4-5-15(14)23-2/h3-9,11H,10H2,1-2H3,(H,19,21)/b6-3+
InChIKeyHNNNMJHSQUCFRT-ZZXKWVIFSA-N
XLogP3.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.52
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

methyl 2-[methyl-[(E)-3-thiophen-3-ylprop-2-enoyl]amino]acetate
CID 75413211
2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113158224
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 8501233
2-[2-aminoethyl(methyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 62686650
4,5-dibromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55329890
2-[(2-amino-2-methylpropyl)-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 120847420
[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate
CID 9014966
methyl 3-[[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]thiophene-2-carboxylate
CID 24566418
(E)-3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 7936691
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
(E)-N-[2-(4-chloroanilino)-2-oxoethyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-methylprop-2-enamide
CID 6218106

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide (CID 55375827) is (E)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide is COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)/C=C/c1ccsc1.
What is the InChIKey of (E)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide?
The InChIKey is HNNNMJHSQUCFRT-ZZXKWVIFSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-20(17(22)6-3-12-7-8-24-11-12)10-16(21)19-14-9-13(18)4-5-15(14)23-2/h3-9,11H,10H2,1-2H3,(H,19,21)/b6-3+.
What are the key properties of (E)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide?
(E)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide has a molecular weight of 364.85 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 55375827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).