4-(4-chlorophenyl)-2-[1-(2-chlorophenyl)ethenylamino]thiophene-3-carboxylic acid

C19H13Cl2NO2S — CID 89177651

IUPAC4-(4-chlorophenyl)-2-[1-(2-chlorophenyl)ethenylamino]thiophene-3-carboxylic acid
SMILESC=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccccc1Cl
InChIInChI=1S/C19H13Cl2NO2S/c1-11(14-4-2-3-5-16(14)21)22-18-17(19(23)24)15(10-25-18)12-6-8-13(20)9-7-12/h2-10,22H,1H2,(H,23,24)
InChIKeyPLOBEUWKWSSTCG-UHFFFAOYSA-N
MW390.29 g/mol
LogP6.50
Rot. Bonds5

About 4-(4-chlorophenyl)-2-[1-(2-chlorophenyl)ethenylamino]thiophene-3-carboxylic acid

4-(4-chlorophenyl)-2-[1-(2-chlorophenyl)ethenylamino]thiophene-3-carboxylic acid (PubChem CID 89177651) has the molecular formula C19H13Cl2NO2S and a molecular weight of 390.29 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[1-(2-chlorophenyl)ethenylamino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[1-(2-chlorophenyl)ethenylamino]thiophene-3-carboxylic acid
PubChem CID89177651
Molecular FormulaC19H13Cl2NO2S
Molecular Weight390.29 g/mol
Exact Mass389.00
IUPAC Name4-(4-chlorophenyl)-2-[1-(2-chlorophenyl)ethenylamino]thiophene-3-carboxylic acid
SMILESC=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccccc1Cl
InChIInChI=1S/C19H13Cl2NO2S/c1-11(14-4-2-3-5-16(14)21)22-18-17(19(23)24)15(10-25-18)12-6-8-13(20)9-7-12/h2-10,22H,1H2,(H,23,24)
InChIKeyPLOBEUWKWSSTCG-UHFFFAOYSA-N
XLogP6.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.29
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-2-[[(2S)-3-(2-chlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid
CID 58295629
4-(4-chlorophenyl)-2-[(2-chlorophenyl)methoxycarbonylamino]thiophene-3-carboxylic acid
CID 59536083
4-(4-chlorophenyl)-2-[[hydroxy(phenyl)methyl]amino]thiophene-3-carboxylic acid
CID 155328025
4-(4-chlorophenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid
CID 23992898
4-(4-chlorophenyl)-2-(2,2-dimethylpropanoylamino)thiophene-3-carboxylic acid
CID 913955
4-(4-chlorophenyl)-2-(2-phenylethylcarbamoylamino)thiophene-3-carboxylic acid
CID 67224626
4-(4-chlorophenyl)-2-(4-phenylbutanoylamino)thiophene-3-carboxylic acid
CID 58295534
2-(2,1,3-benzothiadiazole-4-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid
CID 67052275
2-[(2-chlorobenzoyl)amino]-4-(4-phenylphenyl)thiophene-3-carboxylate
CID 2323012
4-(4-chlorophenyl)-2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid
CID 59536060
2-[[(Z)-2-amino-3-(2-aminophenyl)prop-2-enoyl]amino]-4-(4-chlorophenyl)thiophene-3-carboxylic acid
CID 58417695
4-(4-chlorophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]amino]thiophene-3-carboxylic acid
CID 89458037

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[1-(2-chlorophenyl)ethenylamino]thiophene-3-carboxylic acid?
The IUPAC name of 4-(4-chlorophenyl)-2-[1-(2-chlorophenyl)ethenylamino]thiophene-3-carboxylic acid (CID 89177651) is 4-(4-chlorophenyl)-2-[1-(2-chlorophenyl)ethenylamino]thiophene-3-carboxylic acid.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[1-(2-chlorophenyl)ethenylamino]thiophene-3-carboxylic acid?
The canonical SMILES for 4-(4-chlorophenyl)-2-[1-(2-chlorophenyl)ethenylamino]thiophene-3-carboxylic acid is C=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccccc1Cl.
What is the InChIKey of 4-(4-chlorophenyl)-2-[1-(2-chlorophenyl)ethenylamino]thiophene-3-carboxylic acid?
The InChIKey is PLOBEUWKWSSTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2NO2S/c1-11(14-4-2-3-5-16(14)21)22-18-17(19(23)24)15(10-25-18)12-6-8-13(20)9-7-12/h2-10,22H,1H2,(H,23,24).
What are the key properties of 4-(4-chlorophenyl)-2-[1-(2-chlorophenyl)ethenylamino]thiophene-3-carboxylic acid?
4-(4-chlorophenyl)-2-[1-(2-chlorophenyl)ethenylamino]thiophene-3-carboxylic acid has a molecular weight of 390.29 g/mol, XLogP of 6.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[1-(2-chlorophenyl)ethenylamino]thiophene-3-carboxylic acid is sourced from PubChem (CID 89177651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).