N-(furan-2-ylmethyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide

C19H16N2O3S — CID 6234508

IUPACN-(furan-2-ylmethyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
SMILESO=C(/C=C/c1cccs1)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C19H16N2O3S/c22-18(10-9-15-6-4-12-25-15)21-17-8-2-1-7-16(17)19(23)20-13-14-5-3-11-24-14/h1-12H,13H2,(H,20,23)(H,21,22)/b10-9+
InChIKeyRDMAXDRJVZQLJA-MDZDMXLPSA-N
MW352.42 g/mol
LogP3.92
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide

N-(furan-2-ylmethyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide (PubChem CID 6234508) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
PubChem CID6234508
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC NameN-(furan-2-ylmethyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
SMILESO=C(/C=C/c1cccs1)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C19H16N2O3S/c22-18(10-9-15-6-4-12-25-15)21-17-8-2-1-7-16(17)19(23)20-13-14-5-3-11-24-14/h1-12H,13H2,(H,20,23)(H,21,22)/b10-9+
InChIKeyRDMAXDRJVZQLJA-MDZDMXLPSA-N
XLogP3.92
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 ≤ 53.92
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-benzyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
CID 6233590
N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide
CID 5115759
N-(3-amino-3-oxopropyl)-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
CID 97464350
N-(2-methylpropyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
CID 18089963
(E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
CID 9080643
N-(1,3-benzodioxol-5-ylmethyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
CID 8934605
2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 24563043
2-(3-thiophen-2-ylprop-2-enoylamino)benzoic acid
CID 3063368
N-(furan-2-ylmethyl)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzamide
CID 6211874
N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55467216
2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 112547104

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide (CID 6234508) is N-(furan-2-ylmethyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide is O=C(/C=C/c1cccs1)Nc1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide?
The InChIKey is RDMAXDRJVZQLJA-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H16N2O3S/c22-18(10-9-15-6-4-12-25-15)21-17-8-2-1-7-16(17)19(23)20-13-14-5-3-11-24-14/h1-12H,13H2,(H,20,23)(H,21,22)/b10-9+.
What are the key properties of N-(furan-2-ylmethyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide?
N-(furan-2-ylmethyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide has a molecular weight of 352.42 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide is sourced from PubChem (CID 6234508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).