3-[(3-fluorobenzoyl)amino]-5-(4-methylphenyl)thiophene-2-carboxylic acid

C19H14FNO3S — CID 53470441

IUPAC3-[(3-fluorobenzoyl)amino]-5-(4-methylphenyl)thiophene-2-carboxylic acid
SMILESCc1ccc(-c2cc(NC(=O)c3cccc(F)c3)c(C(=O)O)s2)cc1
InChIInChI=1S/C19H14FNO3S/c1-11-5-7-12(8-6-11)16-10-15(17(25-16)19(23)24)21-18(22)13-3-2-4-14(20)9-13/h2-10H,1H3,(H,21,22)(H,23,24)
InChIKeyXULCIHDIGABUJZ-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.81
Rot. Bonds4

About 3-[(3-fluorobenzoyl)amino]-5-(4-methylphenyl)thiophene-2-carboxylic acid

3-[(3-fluorobenzoyl)amino]-5-(4-methylphenyl)thiophene-2-carboxylic acid (PubChem CID 53470441) has the molecular formula C19H14FNO3S and a molecular weight of 355.39 g/mol. Its IUPAC name is 3-[(3-fluorobenzoyl)amino]-5-(4-methylphenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-fluorobenzoyl)amino]-5-(4-methylphenyl)thiophene-2-carboxylic acid
PubChem CID53470441
Molecular FormulaC19H14FNO3S
Molecular Weight355.39 g/mol
Exact Mass355.07
IUPAC Name3-[(3-fluorobenzoyl)amino]-5-(4-methylphenyl)thiophene-2-carboxylic acid
SMILESCc1ccc(-c2cc(NC(=O)c3cccc(F)c3)c(C(=O)O)s2)cc1
InChIInChI=1S/C19H14FNO3S/c1-11-5-7-12(8-6-11)16-10-15(17(25-16)19(23)24)21-18(22)13-3-2-4-14(20)9-13/h2-10H,1H3,(H,21,22)(H,23,24)
InChIKeyXULCIHDIGABUJZ-UHFFFAOYSA-N
XLogP4.81
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorobenzoyl)amino]-5-(4-methylphenyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-[(3-fluorobenzoyl)amino]-5-(4-methylphenyl)thiophene-2-carboxylic acid (CID 53470441) is 3-[(3-fluorobenzoyl)amino]-5-(4-methylphenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(3-fluorobenzoyl)amino]-5-(4-methylphenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(3-fluorobenzoyl)amino]-5-(4-methylphenyl)thiophene-2-carboxylic acid is Cc1ccc(-c2cc(NC(=O)c3cccc(F)c3)c(C(=O)O)s2)cc1.
What is the InChIKey of 3-[(3-fluorobenzoyl)amino]-5-(4-methylphenyl)thiophene-2-carboxylic acid?
The InChIKey is XULCIHDIGABUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO3S/c1-11-5-7-12(8-6-11)16-10-15(17(25-16)19(23)24)21-18(22)13-3-2-4-14(20)9-13/h2-10H,1H3,(H,21,22)(H,23,24).
What are the key properties of 3-[(3-fluorobenzoyl)amino]-5-(4-methylphenyl)thiophene-2-carboxylic acid?
3-[(3-fluorobenzoyl)amino]-5-(4-methylphenyl)thiophene-2-carboxylic acid has a molecular weight of 355.39 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorobenzoyl)amino]-5-(4-methylphenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 53470441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).