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

C21H18N2O2S — CID 6233590

IUPACN-benzyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
SMILESO=C(/C=C/c1cccs1)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C21H18N2O2S/c24-20(13-12-17-9-6-14-26-17)23-19-11-5-4-10-18(19)21(25)22-15-16-7-2-1-3-8-16/h1-14H,15H2,(H,22,25)(H,23,24)/b13-12+
InChIKeyPHNHVHUKPSMMKJ-OUKQBFOZSA-N
MW362.45 g/mol
LogP4.33
Rot. Bonds6

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

N-benzyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide (PubChem CID 6233590) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-benzyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
PubChem CID6233590
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC NameN-benzyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
SMILESO=C(/C=C/c1cccs1)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C21H18N2O2S/c24-20(13-12-17-9-6-14-26-17)23-19-11-5-4-10-18(19)21(25)22-15-16-7-2-1-3-8-16/h1-14H,15H2,(H,22,25)(H,23,24)/b13-12+
InChIKeyPHNHVHUKPSMMKJ-OUKQBFOZSA-N
XLogP4.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.33
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-(furan-2-ylmethyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
CID 6234508
N-(1,3-benzodioxol-5-ylmethyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
CID 8934605
N-(2-methylpropyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
CID 18089963
2-(3-thiophen-2-ylprop-2-enoylamino)benzoic acid
CID 3063368
N-(3-amino-3-oxopropyl)-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
CID 97464350
[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 29201446
N-ethyl-2-(3-thiophen-2-ylprop-2-enoylcarbamothioylamino)benzamide
CID 4949616
N-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide
CID 17354102
N-[(4-methylphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 17320578
N-benzyl-2-[3-(2-nitrophenyl)prop-2-enoylamino]benzamide
CID 3319172
(E)-N-(2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2146472
(E)-N-[2-(azepane-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 6234393

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide?
The IUPAC name of N-benzyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide (CID 6233590) is N-benzyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide.
What is the SMILES notation for N-benzyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide?
The canonical SMILES for N-benzyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide is O=C(/C=C/c1cccs1)Nc1ccccc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide?
The InChIKey is PHNHVHUKPSMMKJ-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H18N2O2S/c24-20(13-12-17-9-6-14-26-17)23-19-11-5-4-10-18(19)21(25)22-15-16-7-2-1-3-8-16/h1-14H,15H2,(H,22,25)(H,23,24)/b13-12+.
What are the key properties of N-benzyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide?
N-benzyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide has a molecular weight of 362.45 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide is sourced from PubChem (CID 6233590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).