(E)-2-cyano-N-(2,5-dichlorophenyl)-3-thiophen-3-ylprop-2-enamide

C14H8Cl2N2OS — CID 2376096

IUPAC(E)-2-cyano-N-(2,5-dichlorophenyl)-3-thiophen-3-ylprop-2-enamide
SMILESN#C/C(=C\c1ccsc1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H8Cl2N2OS/c15-11-1-2-12(16)13(6-11)18-14(19)10(7-17)5-9-3-4-20-8-9/h1-6,8H,(H,18,19)/b10-5+
InChIKeyBWKGPUYFXNTROL-BJMVGYQFSA-N
MW323.20 g/mol
LogP4.60
Rot. Bonds3

About (E)-2-cyano-N-(2,5-dichlorophenyl)-3-thiophen-3-ylprop-2-enamide

(E)-2-cyano-N-(2,5-dichlorophenyl)-3-thiophen-3-ylprop-2-enamide (PubChem CID 2376096) has the molecular formula C14H8Cl2N2OS and a molecular weight of 323.20 g/mol. Its IUPAC name is (E)-2-cyano-N-(2,5-dichlorophenyl)-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(2,5-dichlorophenyl)-3-thiophen-3-ylprop-2-enamide
PubChem CID2376096
Molecular FormulaC14H8Cl2N2OS
Molecular Weight323.20 g/mol
Exact Mass321.97
IUPAC Name(E)-2-cyano-N-(2,5-dichlorophenyl)-3-thiophen-3-ylprop-2-enamide
SMILESN#C/C(=C\c1ccsc1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H8Cl2N2OS/c15-11-1-2-12(16)13(6-11)18-14(19)10(7-17)5-9-3-4-20-8-9/h1-6,8H,(H,18,19)/b10-5+
InChIKeyBWKGPUYFXNTROL-BJMVGYQFSA-N
XLogP4.60
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-cyano-N-(2,5-dichlorophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 6213837
(E)-3-(5-chlorothiophen-2-yl)-2-cyano-N-(2,5-dichlorophenyl)prop-2-enamide
CID 24604556
2-cyano-N-(2,5-dichlorophenyl)-3-[4-(N-phenylanilino)phenyl]prop-2-enamide
CID 3314211
(E)-2-cyano-N-(2,4-dimethylphenyl)-3-thiophen-3-ylprop-2-enamide
CID 2478301
(E)-2-cyano-N-(2,5-dichlorophenyl)-3-[4-(diethylamino)phenyl]prop-2-enamide
CID 6181068
2-cyano-N-(2-methylphenyl)-3-thiophen-3-ylprop-2-enamide
CID 878232
(Z)-N-[(4-chlorophenyl)methyl]-2-cyano-3-thiophen-3-ylprop-2-enamide
CID 2377888
2-cyano-N-(2,5-dichlorophenyl)-3-(1H-pyrrol-2-yl)prop-2-enamide
CID 4506842
2-cyano-N-(2,5-dichlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 76871092
(E)-3-(4-bromothiophen-2-yl)-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide
CID 7969380
2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(2,5-dichlorophenyl)prop-2-enamide
CID 75268695
3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-dichlorophenyl)prop-2-enamide
CID 4634545

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(2,5-dichlorophenyl)-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(2,5-dichlorophenyl)-3-thiophen-3-ylprop-2-enamide (CID 2376096) is (E)-2-cyano-N-(2,5-dichlorophenyl)-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(2,5-dichlorophenyl)-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(2,5-dichlorophenyl)-3-thiophen-3-ylprop-2-enamide is N#C/C(=C\c1ccsc1)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of (E)-2-cyano-N-(2,5-dichlorophenyl)-3-thiophen-3-ylprop-2-enamide?
The InChIKey is BWKGPUYFXNTROL-BJMVGYQFSA-N. The full InChI is InChI=1S/C14H8Cl2N2OS/c15-11-1-2-12(16)13(6-11)18-14(19)10(7-17)5-9-3-4-20-8-9/h1-6,8H,(H,18,19)/b10-5+.
What are the key properties of (E)-2-cyano-N-(2,5-dichlorophenyl)-3-thiophen-3-ylprop-2-enamide?
(E)-2-cyano-N-(2,5-dichlorophenyl)-3-thiophen-3-ylprop-2-enamide has a molecular weight of 323.20 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(2,5-dichlorophenyl)-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 2376096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).