N-(3-anilino-3-oxo-1-thiophen-2-ylprop-1-en-2-yl)benzamide

C20H16N2O2S — CID 783464

IUPACN-(3-anilino-3-oxo-1-thiophen-2-ylprop-1-en-2-yl)benzamide
SMILESO=C(Nc1ccccc1)C(=Cc1cccs1)NC(=O)c1ccccc1
InChIInChI=1S/C20H16N2O2S/c23-19(15-8-3-1-4-9-15)22-18(14-17-12-7-13-25-17)20(24)21-16-10-5-2-6-11-16/h1-14H,(H,21,24)(H,22,23)
InChIKeyUGUMFWUQQSOYGY-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.16
Rot. Bonds5

About N-(3-anilino-3-oxo-1-thiophen-2-ylprop-1-en-2-yl)benzamide

N-(3-anilino-3-oxo-1-thiophen-2-ylprop-1-en-2-yl)benzamide (PubChem CID 783464) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(3-anilino-3-oxo-1-thiophen-2-ylprop-1-en-2-yl)benzamide.

Molecular Properties

Compound NameN-(3-anilino-3-oxo-1-thiophen-2-ylprop-1-en-2-yl)benzamide
PubChem CID783464
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC NameN-(3-anilino-3-oxo-1-thiophen-2-ylprop-1-en-2-yl)benzamide
SMILESO=C(Nc1ccccc1)C(=Cc1cccs1)NC(=O)c1ccccc1
InChIInChI=1S/C20H16N2O2S/c23-19(15-8-3-1-4-9-15)22-18(14-17-12-7-13-25-17)20(24)21-16-10-5-2-6-11-16/h1-14H,(H,21,24)(H,22,23)
InChIKeyUGUMFWUQQSOYGY-UHFFFAOYSA-N
XLogP4.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-3-(3-acetylanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 2262889
N-[(Z)-3-(2-hydroxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 22303810
N-[3-oxo-1-thiophen-2-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]benzamide
CID 997452
N-[(Z)-3-[4-(1-anilino-1-oxopropan-2-yl)sulfanylanilino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 22189344
N-[(Z)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 100737104
N-[3-[2-[2-[(2-benzamido-3-thiophen-2-ylprop-2-enoyl)hydrazinylidene]ethylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 3093250
N-[(E)-3-[3-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]amino]propylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 139228872
N-[(Z)-3-[4-[2-(4-bromoanilino)-2-oxoethyl]sulfanylanilino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 22189418
N-[(Z)-3-[4-[2-(4-chloroanilino)-2-oxoethyl]sulfanylanilino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 22189422
N-[(Z)-3-[3-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanylanilino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 19312927
4-[2-[4-[[(Z)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzamide
CID 22189408
N-[(Z)-3-[3-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylanilino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 19312912

Frequently Asked Questions

What is the IUPAC name of N-(3-anilino-3-oxo-1-thiophen-2-ylprop-1-en-2-yl)benzamide?
The IUPAC name of N-(3-anilino-3-oxo-1-thiophen-2-ylprop-1-en-2-yl)benzamide (CID 783464) is N-(3-anilino-3-oxo-1-thiophen-2-ylprop-1-en-2-yl)benzamide.
What is the SMILES notation for N-(3-anilino-3-oxo-1-thiophen-2-ylprop-1-en-2-yl)benzamide?
The canonical SMILES for N-(3-anilino-3-oxo-1-thiophen-2-ylprop-1-en-2-yl)benzamide is O=C(Nc1ccccc1)C(=Cc1cccs1)NC(=O)c1ccccc1.
What is the InChIKey of N-(3-anilino-3-oxo-1-thiophen-2-ylprop-1-en-2-yl)benzamide?
The InChIKey is UGUMFWUQQSOYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c23-19(15-8-3-1-4-9-15)22-18(14-17-12-7-13-25-17)20(24)21-16-10-5-2-6-11-16/h1-14H,(H,21,24)(H,22,23).
What are the key properties of N-(3-anilino-3-oxo-1-thiophen-2-ylprop-1-en-2-yl)benzamide?
N-(3-anilino-3-oxo-1-thiophen-2-ylprop-1-en-2-yl)benzamide has a molecular weight of 348.43 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilino-3-oxo-1-thiophen-2-ylprop-1-en-2-yl)benzamide is sourced from PubChem (CID 783464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).