N-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide

C14H11ClN2OS — CID 6861718

IUPACN-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide
SMILESO=C(N/N=C/C(Cl)=C\c1ccccc1)c1cccs1
InChIInChI=1S/C14H11ClN2OS/c15-12(9-11-5-2-1-3-6-11)10-16-17-14(18)13-7-4-8-19-13/h1-10H,(H,17,18)/b12-9+,16-10+
InChIKeyZYAXDDUXUKIJMB-JXTNESPGSA-N
MW290.78 g/mol
LogP3.74
Rot. Bonds4

About N-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide

N-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide (PubChem CID 6861718) has the molecular formula C14H11ClN2OS and a molecular weight of 290.78 g/mol. Its IUPAC name is N-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide
PubChem CID6861718
Molecular FormulaC14H11ClN2OS
Molecular Weight290.78 g/mol
Exact Mass290.03
IUPAC NameN-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide
SMILESO=C(N/N=C/C(Cl)=C\c1ccccc1)c1cccs1
InChIInChI=1S/C14H11ClN2OS/c15-12(9-11-5-2-1-3-6-11)10-16-17-14(18)13-7-4-8-19-13/h1-10H,(H,17,18)/b12-9+,16-10+
InChIKeyZYAXDDUXUKIJMB-JXTNESPGSA-N
XLogP3.74
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 53.74
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-[(2-chloro-3-phenylprop-2-enylidene)amino]-2-hydroxybenzamide
CID 4587352
N-[(2-chloro-3-phenylprop-2-enylidene)amino]-4-fluorobenzamide
CID 3883707
N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-4-[(2E)-2-(2-chloro-3-phenylprop-2-enylidene)hydrazinyl]benzamide
CID 84582854
N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-5-phenyl-1,2-oxazole-3-carboxamide
CID 129432016
N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-1H-pyrrole-2-carboxamide
CID 9025596
N-[(2-chloro-3-phenylprop-2-enylidene)amino]-2-pyrrol-1-ylbenzamide
CID 4086901
N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-methylfuran-3-carboxamide
CID 6879712
N-[(E)-2,2,2-trifluoroethylideneamino]thiophene-2-carboxamide
CID 177392116
N-[(E)-(2-iodophenyl)methylideneamino]thiophene-2-carboxamide
CID 6910346
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 5402013
N-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-2-pyridin-1-ium-1-ylacetamide
CID 6862524
N-(4-phenylbut-3-en-2-ylideneamino)thiophene-2-carboxamide
CID 711620

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide?
The IUPAC name of N-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide (CID 6861718) is N-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide?
The canonical SMILES for N-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide is O=C(N/N=C/C(Cl)=C\c1ccccc1)c1cccs1.
What is the InChIKey of N-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide?
The InChIKey is ZYAXDDUXUKIJMB-JXTNESPGSA-N. The full InChI is InChI=1S/C14H11ClN2OS/c15-12(9-11-5-2-1-3-6-11)10-16-17-14(18)13-7-4-8-19-13/h1-10H,(H,17,18)/b12-9+,16-10+.
What are the key properties of N-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide?
N-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide has a molecular weight of 290.78 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide is sourced from PubChem (CID 6861718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).