N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide

C19H16N2O3S — CID 2177140

IUPACN-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
SMILESO=C(NCc1ccco1)/C(=C\c1cccs1)NC(=O)c1ccccc1
InChIInChI=1S/C19H16N2O3S/c22-18(14-6-2-1-3-7-14)21-17(12-16-9-5-11-25-16)19(23)20-13-15-8-4-10-24-15/h1-12H,13H2,(H,20,23)(H,21,22)/b17-12+
InChIKeyGEBDCQHBDRKDRE-SFQUDFHCSA-N
MW352.42 g/mol
LogP3.43
Rot. Bonds6

About N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide

N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide (PubChem CID 2177140) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
PubChem CID2177140
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC NameN-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
SMILESO=C(NCc1ccco1)/C(=C\c1cccs1)NC(=O)c1ccccc1
InChIInChI=1S/C19H16N2O3S/c22-18(14-6-2-1-3-7-14)21-17(12-16-9-5-11-25-16)19(23)20-13-15-8-4-10-24-15/h1-12H,13H2,(H,20,23)(H,21,22)/b17-12+
InChIKeyGEBDCQHBDRKDRE-SFQUDFHCSA-N
XLogP3.43
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.43
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-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 573774
N-{2-Furan-2-yl-1-[(furan-2-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5755140
1-(2-Furylmethyl)-3-HO-5-PH-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2934282
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 3191424
4-[(1-{[2-Oxo-2-(thiophen-3-yl)ethyl]amino}cyclopentyl)methoxy]benzamide
CID 16725905
4-[(2R)-2-{[2-oxo-2-(thiophen-3-yl)ethyl]amino}propoxy]benzamide
CID 23647085
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 4884562
4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methoxypropyl)benzamide
CID 6488404
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 16293454
N-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide
CID 19585268
Furan-2-yl-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]methanone
CID 25163808
N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2168157

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide (CID 2177140) is N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide is O=C(NCc1ccco1)/C(=C\c1cccs1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide?
The InChIKey is GEBDCQHBDRKDRE-SFQUDFHCSA-N. The full InChI is InChI=1S/C19H16N2O3S/c22-18(14-6-2-1-3-7-14)21-17(12-16-9-5-11-25-16)19(23)20-13-15-8-4-10-24-15/h1-12H,13H2,(H,20,23)(H,21,22)/b17-12+.
What are the key properties of N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide?
N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide has a molecular weight of 352.42 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 2177140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).