N-(4-phenylbut-3-en-2-ylideneamino)thiophene-2-carboxamide

C15H14N2OS — CID 711620

IUPACN-(4-phenylbut-3-en-2-ylideneamino)thiophene-2-carboxamide
SMILESCC(C=Cc1ccccc1)=NNC(=O)c1cccs1
InChIInChI=1S/C15H14N2OS/c1-12(9-10-13-6-3-2-4-7-13)16-17-15(18)14-8-5-11-19-14/h2-11H,1H3,(H,17,18)
InChIKeyFCGYFYYWUADBRP-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.57
Rot. Bonds4

About N-(4-phenylbut-3-en-2-ylideneamino)thiophene-2-carboxamide

N-(4-phenylbut-3-en-2-ylideneamino)thiophene-2-carboxamide (PubChem CID 711620) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is N-(4-phenylbut-3-en-2-ylideneamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-phenylbut-3-en-2-ylideneamino)thiophene-2-carboxamide
PubChem CID711620
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC NameN-(4-phenylbut-3-en-2-ylideneamino)thiophene-2-carboxamide
SMILESCC(C=Cc1ccccc1)=NNC(=O)c1cccs1
InChIInChI=1S/C15H14N2OS/c1-12(9-10-13-6-3-2-4-7-13)16-17-15(18)14-8-5-11-19-14/h2-11H,1H3,(H,17,18)
InChIKeyFCGYFYYWUADBRP-UHFFFAOYSA-N
XLogP3.57
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 724511
4-bromo-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 6948702
4-bromo-N-(4-phenylbut-3-en-2-ylideneamino)benzamide
CID 834129
methyl N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]carbamate
CID 7072066
4-methoxy-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 7348333
N,N'-bis[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]octanediamide
CID 6321551
1,3-bis[(E)-4-phenylbut-3-en-2-ylideneamino]thiourea
CID 5466074
N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 5411250
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]thiophene-2-carboxamide
CID 5391936
2,2-diphenyl-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 129431826
N-[1-(2-hydroxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 761702
N-[(E)-[(E)-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]amino]thiophene-2-carboxamide
CID 118706233

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbut-3-en-2-ylideneamino)thiophene-2-carboxamide?
The IUPAC name of N-(4-phenylbut-3-en-2-ylideneamino)thiophene-2-carboxamide (CID 711620) is N-(4-phenylbut-3-en-2-ylideneamino)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-phenylbut-3-en-2-ylideneamino)thiophene-2-carboxamide?
The canonical SMILES for N-(4-phenylbut-3-en-2-ylideneamino)thiophene-2-carboxamide is CC(C=Cc1ccccc1)=NNC(=O)c1cccs1.
What is the InChIKey of N-(4-phenylbut-3-en-2-ylideneamino)thiophene-2-carboxamide?
The InChIKey is FCGYFYYWUADBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-12(9-10-13-6-3-2-4-7-13)16-17-15(18)14-8-5-11-19-14/h2-11H,1H3,(H,17,18).
What are the key properties of N-(4-phenylbut-3-en-2-ylideneamino)thiophene-2-carboxamide?
N-(4-phenylbut-3-en-2-ylideneamino)thiophene-2-carboxamide has a molecular weight of 270.36 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbut-3-en-2-ylideneamino)thiophene-2-carboxamide is sourced from PubChem (CID 711620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).