N-[(E)-3-(4-methylanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-3-carboxamide

C19H16N2O2S2 — CID 5290964

IUPACN-[(E)-3-(4-methylanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-3-carboxamide
SMILESCc1ccc(NC(=O)/C(=C\c2cccs2)NC(=O)c2ccsc2)cc1
InChIInChI=1S/C19H16N2O2S2/c1-13-4-6-15(7-5-13)20-19(23)17(11-16-3-2-9-25-16)21-18(22)14-8-10-24-12-14/h2-12H,1H3,(H,20,23)(H,21,22)/b17-11+
InChIKeyKNBVSIWXCWRXSG-GZTJUZNOSA-N
MW368.48 g/mol
LogP4.53
Rot. Bonds5

About N-[(E)-3-(4-methylanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-3-carboxamide

N-[(E)-3-(4-methylanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-3-carboxamide (PubChem CID 5290964) has the molecular formula C19H16N2O2S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[(E)-3-(4-methylanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-3-(4-methylanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-3-carboxamide
PubChem CID5290964
Molecular FormulaC19H16N2O2S2
Molecular Weight368.48 g/mol
Exact Mass368.07
IUPAC NameN-[(E)-3-(4-methylanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-3-carboxamide
SMILESCc1ccc(NC(=O)/C(=C\c2cccs2)NC(=O)c2ccsc2)cc1
InChIInChI=1S/C19H16N2O2S2/c1-13-4-6-15(7-5-13)20-19(23)17(11-16-3-2-9-25-16)21-18(22)14-8-10-24-12-14/h2-12H,1H3,(H,20,23)(H,21,22)/b17-11+
InChIKeyKNBVSIWXCWRXSG-GZTJUZNOSA-N
XLogP4.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-anilino-3-oxo-1-thiophen-2-ylprop-1-en-2-yl)benzamide
CID 783464
4-methyl-N-[(Z)-3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 100693806
N-[(Z)-3-(3,4-dimethylanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-3-methylbenzamide
CID 100691754
N-[(Z)-3-(3-acetylanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
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N-[(Z)-3-[3-[1-(4-methylanilino)-1-oxobutan-2-yl]sulfanylanilino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 19312965
4-methyl-N-[(Z)-3-oxo-3-(2-phenoxyanilino)-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 100640069
N-[(E)-3-(3-acetylanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide
CID 5347264
N-[(Z)-3-[4-[2-(4-methylanilino)-2-oxoethyl]sulfanylanilino]-3-oxo-1-thiophen-3-ylprop-1-en-2-yl]benzamide
CID 22188810
N-[3-(3-acetylanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-3,4-dimethylbenzamide
CID 4687840
N-[(Z)-3-[4-(1-anilino-1-oxopropan-2-yl)sulfanylanilino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 22189344
4-methyl-N-[(E)-3-(4-methylanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 6060583
N-[3-(3-methoxypropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-4-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(4-methylanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-3-carboxamide?
The IUPAC name of N-[(E)-3-(4-methylanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-3-carboxamide (CID 5290964) is N-[(E)-3-(4-methylanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(E)-3-(4-methylanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[(E)-3-(4-methylanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-3-carboxamide is Cc1ccc(NC(=O)/C(=C\c2cccs2)NC(=O)c2ccsc2)cc1.
What is the InChIKey of N-[(E)-3-(4-methylanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-3-carboxamide?
The InChIKey is KNBVSIWXCWRXSG-GZTJUZNOSA-N. The full InChI is InChI=1S/C19H16N2O2S2/c1-13-4-6-15(7-5-13)20-19(23)17(11-16-3-2-9-25-16)21-18(22)14-8-10-24-12-14/h2-12H,1H3,(H,20,23)(H,21,22)/b17-11+.
What are the key properties of N-[(E)-3-(4-methylanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-3-carboxamide?
N-[(E)-3-(4-methylanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(4-methylanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 5290964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).