N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]thiophene-2-carboxamide

C20H16N2O2S — CID 5411250

IUPACN-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C20H16N2O2S/c23-19(13-8-15-5-2-1-3-6-15)21-16-9-11-17(12-10-16)22-20(24)18-7-4-14-25-18/h1-14H,(H,21,23)(H,22,24)/b13-8+
InChIKeyONHRMIFSXPGLGO-MDWZMJQESA-N
MW348.43 g/mol
LogP4.65
Rot. Bonds5

About N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]thiophene-2-carboxamide

N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]thiophene-2-carboxamide (PubChem CID 5411250) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
PubChem CID5411250
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC NameN-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C20H16N2O2S/c23-19(13-8-15-5-2-1-3-6-15)21-16-9-11-17(12-10-16)22-20(24)18-7-4-14-25-18/h1-14H,(H,21,23)(H,22,24)/b13-8+
InChIKeyONHRMIFSXPGLGO-MDWZMJQESA-N
XLogP4.65
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 ≤ 54.65
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-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 31520708
N-[3-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]thiophene-2-carboxamide
CID 1315625
N-(4-sulfanylphenyl)thiophene-2-carboxamide
CID 27126639
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
N-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 31520599
N-[4-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide
CID 3119793
N-[4-[3-(4-methylsulfanylphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide
CID 2865585
(E)-N-(1-benzothiophen-5-yl)-3-phenylprop-2-enamide
CID 2423036
4-tert-butyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]benzamide
CID 2173598
N-[3-[[(E)-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 38973808
4-[[(E)-3-phenylprop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 6091158

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]thiophene-2-carboxamide (CID 5411250) is N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]thiophene-2-carboxamide is O=C(/C=C/c1ccccc1)Nc1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]thiophene-2-carboxamide?
The InChIKey is ONHRMIFSXPGLGO-MDWZMJQESA-N. The full InChI is InChI=1S/C20H16N2O2S/c23-19(13-8-15-5-2-1-3-6-15)21-16-9-11-17(12-10-16)22-20(24)18-7-4-14-25-18/h1-14H,(H,21,23)(H,22,24)/b13-8+.
What are the key properties of N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]thiophene-2-carboxamide?
N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]thiophene-2-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 5411250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).