4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-fluorobenzoic acid

C15H14FNO3S — CID 63190005

IUPAC4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-fluorobenzoic acid
SMILESCCc1sc(C(=O)Nc2ccc(C(=O)O)cc2F)cc1C
InChIInChI=1S/C15H14FNO3S/c1-3-12-8(2)6-13(21-12)14(18)17-11-5-4-9(15(19)20)7-10(11)16/h4-7H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyHKKRVFNFCUIXST-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.71
Rot. Bonds4

About 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-fluorobenzoic acid

4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-fluorobenzoic acid (PubChem CID 63190005) has the molecular formula C15H14FNO3S and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-fluorobenzoic acid
PubChem CID63190005
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC Name4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-fluorobenzoic acid
SMILESCCc1sc(C(=O)Nc2ccc(C(=O)O)cc2F)cc1C
InChIInChI=1S/C15H14FNO3S/c1-3-12-8(2)6-13(21-12)14(18)17-11-5-4-9(15(19)20)7-10(11)16/h4-7H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyHKKRVFNFCUIXST-UHFFFAOYSA-N
XLogP3.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid
CID 60826737
3-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-4-hydroxybenzoic acid
CID 107264822
4-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-3-fluorobenzoic acid
CID 79981534
4-[(3,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid
CID 63189775
2-[4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-methylphenoxy]acetic acid
CID 119231593
5-ethyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-methylthiophene-2-carboxamide;hydrochloride
CID 120883819
5-ethyl-4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide
CID 9418430
5-ethyl-4-methyl-N-(4-methylphenyl)thiophene-2-carboxamide
CID 7733711
4-[(2,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid
CID 63189869
3-fluoro-4-(thiadiazole-5-carbonylamino)benzoic acid
CID 55157917
3-amino-4-[(5-bromo-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 79981305
4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid
CID 60827236

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-fluorobenzoic acid?
The IUPAC name of 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-fluorobenzoic acid (CID 63190005) is 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-fluorobenzoic acid.
What is the SMILES notation for 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-fluorobenzoic acid?
The canonical SMILES for 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-fluorobenzoic acid is CCc1sc(C(=O)Nc2ccc(C(=O)O)cc2F)cc1C.
What is the InChIKey of 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-fluorobenzoic acid?
The InChIKey is HKKRVFNFCUIXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S/c1-3-12-8(2)6-13(21-12)14(18)17-11-5-4-9(15(19)20)7-10(11)16/h4-7H,3H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-fluorobenzoic acid?
4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-fluorobenzoic acid has a molecular weight of 307.35 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-fluorobenzoic acid is sourced from PubChem (CID 63190005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).