5-[3-(N-(2,4-dichlorobenzoyl)anilino)phenyl]thiophene-2-carboxylic acid

C24H15Cl2NO3S — CID 67426759

IUPAC5-[3-(N-(2,4-dichlorobenzoyl)anilino)phenyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc(N(C(=O)c3ccc(Cl)cc3Cl)c3ccccc3)c2)s1
InChIInChI=1S/C24H15Cl2NO3S/c25-16-9-10-19(20(26)14-16)23(28)27(17-6-2-1-3-7-17)18-8-4-5-15(13-18)21-11-12-22(31-21)24(29)30/h1-14H,(H,29,30)
InChIKeyXROVTACVIJAJSV-UHFFFAOYSA-N
MW468.36 g/mol
LogP7.40
Rot. Bonds5

About 5-[3-(N-(2,4-dichlorobenzoyl)anilino)phenyl]thiophene-2-carboxylic acid

5-[3-(N-(2,4-dichlorobenzoyl)anilino)phenyl]thiophene-2-carboxylic acid (PubChem CID 67426759) has the molecular formula C24H15Cl2NO3S and a molecular weight of 468.36 g/mol. Its IUPAC name is 5-[3-(N-(2,4-dichlorobenzoyl)anilino)phenyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(N-(2,4-dichlorobenzoyl)anilino)phenyl]thiophene-2-carboxylic acid
PubChem CID67426759
Molecular FormulaC24H15Cl2NO3S
Molecular Weight468.36 g/mol
Exact Mass467.01
IUPAC Name5-[3-(N-(2,4-dichlorobenzoyl)anilino)phenyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc(N(C(=O)c3ccc(Cl)cc3Cl)c3ccccc3)c2)s1
InChIInChI=1S/C24H15Cl2NO3S/c25-16-9-10-19(20(26)14-16)23(28)27(17-6-2-1-3-7-17)18-8-4-5-15(13-18)21-11-12-22(31-21)24(29)30/h1-14H,(H,29,30)
InChIKeyXROVTACVIJAJSV-UHFFFAOYSA-N
XLogP7.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.36
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-phenylphenyl)thiophene-2-carboxylic acid
CID 7130760
N-tert-butyl-2,4-dichloro-N-phenylbenzamide
CID 91801665
1-[5-(3-chlorophenyl)thiophen-2-yl]ethanone
CID 4190812
4-N-[3-[3-(N-[3,5-bis(diphenylcarbamoyl)benzoyl]anilino)phenyl]phenyl]-1-N,1-N,2-N,2-N,4-N-pentakis-phenylbenzene-1,2,4-tricarboxamide
CID 163655683
2,4-dichloro-N-(diphenylcarbamothioyl)benzamide
CID 5045349
5-(3-chlorophenyl)-N,N-bis(prop-2-enyl)thiophene-2-carboxamide
CID 46082739
4-[(2-carboxy-5-phenylthiophen-3-yl)-(2,4-dichlorobenzoyl)amino]piperidine-1-carboxylic acid
CID 22496247
3-[(2,4-dichlorobenzoyl)-(1,3-dioxolan-2-ylmethyl)amino]-5-phenylthiophene-2-carboxylic acid
CID 10028035
3-[5-(3-chlorophenyl)thiophen-2-yl]prop-2-enoic acid
CID 53412007
5-[4-(2-carboxyanilino)-3,5-dichlorophenyl]thiophene-2-carboxylic acid
CID 149295665
5-(3-cyclopropyloxyphenyl)thiophene-2-carboxylic acid
CID 114522421
3-[(2,4-dichlorobenzoyl)-(1,3-thiazol-5-ylmethyl)amino]-5-phenylthiophene-2-carboxylic acid
CID 71080242

Frequently Asked Questions

What is the IUPAC name of 5-[3-(N-(2,4-dichlorobenzoyl)anilino)phenyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[3-(N-(2,4-dichlorobenzoyl)anilino)phenyl]thiophene-2-carboxylic acid (CID 67426759) is 5-[3-(N-(2,4-dichlorobenzoyl)anilino)phenyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[3-(N-(2,4-dichlorobenzoyl)anilino)phenyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[3-(N-(2,4-dichlorobenzoyl)anilino)phenyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(-c2cccc(N(C(=O)c3ccc(Cl)cc3Cl)c3ccccc3)c2)s1.
What is the InChIKey of 5-[3-(N-(2,4-dichlorobenzoyl)anilino)phenyl]thiophene-2-carboxylic acid?
The InChIKey is XROVTACVIJAJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl2NO3S/c25-16-9-10-19(20(26)14-16)23(28)27(17-6-2-1-3-7-17)18-8-4-5-15(13-18)21-11-12-22(31-21)24(29)30/h1-14H,(H,29,30).
What are the key properties of 5-[3-(N-(2,4-dichlorobenzoyl)anilino)phenyl]thiophene-2-carboxylic acid?
5-[3-(N-(2,4-dichlorobenzoyl)anilino)phenyl]thiophene-2-carboxylic acid has a molecular weight of 468.36 g/mol, XLogP of 7.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(N-(2,4-dichlorobenzoyl)anilino)phenyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 67426759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).