N-phenyl-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide

C18H14N2OS — CID 4245267

IUPACN-phenyl-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)N(c1ccccc1)c1ccccn1
InChIInChI=1S/C18H14N2OS/c21-18(12-11-16-9-6-14-22-16)20(15-7-2-1-3-8-15)17-10-4-5-13-19-17/h1-14H
InChIKeyAFXPJMFPGRWVRJ-UHFFFAOYSA-N
MW306.39 g/mol
LogP4.52
Rot. Bonds4

About N-phenyl-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide

N-phenyl-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide (PubChem CID 4245267) has the molecular formula C18H14N2OS and a molecular weight of 306.39 g/mol. Its IUPAC name is N-phenyl-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-phenyl-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide
PubChem CID4245267
Molecular FormulaC18H14N2OS
Molecular Weight306.39 g/mol
Exact Mass306.08
IUPAC NameN-phenyl-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)N(c1ccccc1)c1ccccn1
InChIInChI=1S/C18H14N2OS/c21-18(12-11-16-9-6-14-22-16)20(15-7-2-1-3-8-15)17-10-4-5-13-19-17/h1-14H
InChIKeyAFXPJMFPGRWVRJ-UHFFFAOYSA-N
XLogP4.52
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-methylphenyl)-N-phenyl-N-pyridin-2-ylprop-2-enamide
CID 53234949
(E)-3-thiophen-2-ylprop-2-enoic acid;hydrochloride
CID 88528301
N,2-diphenyl-N-pyridin-2-ylacetamide
CID 24832254
(E)-N-benzyl-N-propan-2-yl-3-thiophen-2-ylprop-2-enamide
CID 86770622
CID 59090948
CID 59090948
2-[cyclopropyl-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]acetic acid
CID 54945948
3-(4-fluorophenyl)-N-[3-(4-fluorophenyl)prop-2-enoyl]-N-pyridin-2-ylprop-2-enamide
CID 4513066
ethyl N-phenyl-N-pyridin-2-ylcarbamate
CID 2783435
[(E)-3-thiophen-2-ylprop-2-enoyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 100994517
N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 71962508
[2-(N-methylanilino)-2-oxoethyl] 3-thiophen-2-ylprop-2-enoate
CID 5023945
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 71962490

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-phenyl-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide (CID 4245267) is N-phenyl-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-phenyl-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-phenyl-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide is O=C(C=Cc1cccs1)N(c1ccccc1)c1ccccn1.
What is the InChIKey of N-phenyl-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is AFXPJMFPGRWVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2OS/c21-18(12-11-16-9-6-14-22-16)20(15-7-2-1-3-8-15)17-10-4-5-13-19-17/h1-14H.
What are the key properties of N-phenyl-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide?
N-phenyl-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 306.39 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 4245267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).