N-[(E)-3-(2-methoxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide

C19H16N2O3S2 — CID 5442635

IUPACN-[(E)-3-(2-methoxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide
SMILESCOc1ccccc1NC(=O)/C(=C\c1cccs1)NC(=O)c1cccs1
InChIInChI=1S/C19H16N2O3S2/c1-24-16-8-3-2-7-14(16)20-18(22)15(12-13-6-4-10-25-13)21-19(23)17-9-5-11-26-17/h2-12H,1H3,(H,20,22)(H,21,23)/b15-12+
InChIKeyJJOAYFQDTIQWPX-NTCAYCPXSA-N
MW384.48 g/mol
LogP4.23
Rot. Bonds6

About N-[(E)-3-(2-methoxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide

N-[(E)-3-(2-methoxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide (PubChem CID 5442635) has the molecular formula C19H16N2O3S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[(E)-3-(2-methoxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-3-(2-methoxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide
PubChem CID5442635
Molecular FormulaC19H16N2O3S2
Molecular Weight384.48 g/mol
Exact Mass384.06
IUPAC NameN-[(E)-3-(2-methoxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide
SMILESCOc1ccccc1NC(=O)/C(=C\c1cccs1)NC(=O)c1cccs1
InChIInChI=1S/C19H16N2O3S2/c1-24-16-8-3-2-7-14(16)20-18(22)15(12-13-6-4-10-25-13)21-19(23)17-9-5-11-26-17/h2-12H,1H3,(H,20,22)(H,21,23)/b15-12+
InChIKeyJJOAYFQDTIQWPX-NTCAYCPXSA-N
XLogP4.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-3-(2,5-dimethoxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-4-methoxybenzamide
CID 100742801
N-(2-methoxyphenyl)-2-oxo-2-thiophen-2-ylacetamide
CID 82121621
4-methyl-N-[(Z)-3-oxo-3-(2-phenoxyanilino)-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 100640069
N-[(Z)-3-(2-hydroxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 22303810
N-[(E)-3-(3-acetylanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide
CID 5347264
N-(3-anilino-3-oxo-1-thiophen-2-ylprop-1-en-2-yl)benzamide
CID 783464
N-[4-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19630801
N-(2-carbamoyl-3-methoxyphenyl)thiophene-2-carboxamide
CID 177168105
N-[(Z)-3-(2-methoxyanilino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 5443009
N-[(E)-1-(3,4-dimethoxyphenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
CID 6062175
N-[1-(4-fluorophenyl)-3-(2-methoxyanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 4672413
N-[1-(3,4-dimethoxyphenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
CID 4299332

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(2-methoxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(E)-3-(2-methoxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide (CID 5442635) is N-[(E)-3-(2-methoxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(E)-3-(2-methoxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(E)-3-(2-methoxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide is COc1ccccc1NC(=O)/C(=C\c1cccs1)NC(=O)c1cccs1.
What is the InChIKey of N-[(E)-3-(2-methoxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide?
The InChIKey is JJOAYFQDTIQWPX-NTCAYCPXSA-N. The full InChI is InChI=1S/C19H16N2O3S2/c1-24-16-8-3-2-7-14(16)20-18(22)15(12-13-6-4-10-25-13)21-19(23)17-9-5-11-26-17/h2-12H,1H3,(H,20,22)(H,21,23)/b15-12+.
What are the key properties of N-[(E)-3-(2-methoxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide?
N-[(E)-3-(2-methoxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(2-methoxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 5442635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).