5-(2,4-difluorophenyl)-3-[(4-methylbenzoyl)amino]thiophene-2-carboxylic acid

C19H13F2NO3S — CID 20775729

IUPAC5-(2,4-difluorophenyl)-3-[(4-methylbenzoyl)amino]thiophene-2-carboxylic acid
SMILESCc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3F)sc2C(=O)O)cc1
InChIInChI=1S/C19H13F2NO3S/c1-10-2-4-11(5-3-10)18(23)22-15-9-16(26-17(15)19(24)25)13-7-6-12(20)8-14(13)21/h2-9H,1H3,(H,22,23)(H,24,25)
InChIKeyHAEZMEMORSFYIM-UHFFFAOYSA-N
MW373.38 g/mol
LogP4.95
Rot. Bonds4

About 5-(2,4-difluorophenyl)-3-[(4-methylbenzoyl)amino]thiophene-2-carboxylic acid

5-(2,4-difluorophenyl)-3-[(4-methylbenzoyl)amino]thiophene-2-carboxylic acid (PubChem CID 20775729) has the molecular formula C19H13F2NO3S and a molecular weight of 373.38 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-3-[(4-methylbenzoyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-3-[(4-methylbenzoyl)amino]thiophene-2-carboxylic acid
PubChem CID20775729
Molecular FormulaC19H13F2NO3S
Molecular Weight373.38 g/mol
Exact Mass373.06
IUPAC Name5-(2,4-difluorophenyl)-3-[(4-methylbenzoyl)amino]thiophene-2-carboxylic acid
SMILESCc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3F)sc2C(=O)O)cc1
InChIInChI=1S/C19H13F2NO3S/c1-10-2-4-11(5-3-10)18(23)22-15-9-16(26-17(15)19(24)25)13-7-6-12(20)8-14(13)21/h2-9H,1H3,(H,22,23)(H,24,25)
InChIKeyHAEZMEMORSFYIM-UHFFFAOYSA-N
XLogP4.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-3-[(4-methylbenzoyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 5-(2,4-difluorophenyl)-3-[(4-methylbenzoyl)amino]thiophene-2-carboxylic acid (CID 20775729) is 5-(2,4-difluorophenyl)-3-[(4-methylbenzoyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2,4-difluorophenyl)-3-[(4-methylbenzoyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-(2,4-difluorophenyl)-3-[(4-methylbenzoyl)amino]thiophene-2-carboxylic acid is Cc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3F)sc2C(=O)O)cc1.
What is the InChIKey of 5-(2,4-difluorophenyl)-3-[(4-methylbenzoyl)amino]thiophene-2-carboxylic acid?
The InChIKey is HAEZMEMORSFYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2NO3S/c1-10-2-4-11(5-3-10)18(23)22-15-9-16(26-17(15)19(24)25)13-7-6-12(20)8-14(13)21/h2-9H,1H3,(H,22,23)(H,24,25).
What are the key properties of 5-(2,4-difluorophenyl)-3-[(4-methylbenzoyl)amino]thiophene-2-carboxylic acid?
5-(2,4-difluorophenyl)-3-[(4-methylbenzoyl)amino]thiophene-2-carboxylic acid has a molecular weight of 373.38 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-3-[(4-methylbenzoyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 20775729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).