3-[[4-(3-ethoxyphenyl)-2,6-difluorophenyl]carbamoyl]thiophene-2-carboxylic acid

C20H15F2NO4S — CID 23647299

IUPAC3-[[4-(3-ethoxyphenyl)-2,6-difluorophenyl]carbamoyl]thiophene-2-carboxylic acid
SMILESCCOc1cccc(-c2cc(F)c(NC(=O)c3ccsc3C(=O)O)c(F)c2)c1
InChIInChI=1S/C20H15F2NO4S/c1-2-27-13-5-3-4-11(8-13)12-9-15(21)17(16(22)10-12)23-19(24)14-6-7-28-18(14)20(25)26/h3-10H,2H2,1H3,(H,23,24)(H,25,26)
InChIKeyFQIHPSGODYSCSJ-UHFFFAOYSA-N
MW403.41 g/mol
LogP5.04
Rot. Bonds6

About 3-[[4-(3-ethoxyphenyl)-2,6-difluorophenyl]carbamoyl]thiophene-2-carboxylic acid

3-[[4-(3-ethoxyphenyl)-2,6-difluorophenyl]carbamoyl]thiophene-2-carboxylic acid (PubChem CID 23647299) has the molecular formula C20H15F2NO4S and a molecular weight of 403.41 g/mol. Its IUPAC name is 3-[[4-(3-ethoxyphenyl)-2,6-difluorophenyl]carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[4-(3-ethoxyphenyl)-2,6-difluorophenyl]carbamoyl]thiophene-2-carboxylic acid
PubChem CID23647299
Molecular FormulaC20H15F2NO4S
Molecular Weight403.41 g/mol
Exact Mass403.07
IUPAC Name3-[[4-(3-ethoxyphenyl)-2,6-difluorophenyl]carbamoyl]thiophene-2-carboxylic acid
SMILESCCOc1cccc(-c2cc(F)c(NC(=O)c3ccsc3C(=O)O)c(F)c2)c1
InChIInChI=1S/C20H15F2NO4S/c1-2-27-13-5-3-4-11(8-13)12-9-15(21)17(16(22)10-12)23-19(24)14-6-7-28-18(14)20(25)26/h3-10H,2H2,1H3,(H,23,24)(H,25,26)
InChIKeyFQIHPSGODYSCSJ-UHFFFAOYSA-N
XLogP5.04
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.41
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[4-(3-ethoxyphenyl)-2,6-difluorophenyl]carbamoyl]thiophene-2-carboxylic acid with MolForge

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Related Compounds

3-({[3,5-Difluoro-3'-(trifluoromethoxy)biphenyl-4-YL]amino}carbonyl)thiophene-2-carboxylic acid
CID 15942658
3-{[2,3,5,6-Tetrafluoro-4-(2-methoxyphenyl)phenyl]carbamoyl}thiophene-2-carboxylic acid
CID 11524688
3-{[(3-Fluoro-3'-methoxybiphenyl-4-YL)amino]carbonyl}thiophene-2-carboxylic acid
CID 15942657
3-((2,3,5,6-Tetrafluoro-3'-(trifluoromethoxy)biphenyl-4-yl)carbamoyl)thiophene-2-carboxylic acid
CID 46200812
3-[(3-Phenoxybenzoyl)amino]-2-thiophenecarboxylic acid
CID 3439320
3-{[4-(2-Ethoxyphenyl)-2,6-difluorophenyl]carbamoyl}thiophene-2-carboxylic acid
CID 23647300
3-{[3-Chloro-4-(2-methoxyphenyl)phenyl]carbamoyl}thiophene-2-carboxylic acid
CID 23647301
4-{[4-(2-Ethoxyphenyl)-2,6-difluorophenyl]carbamoyl}thiophene-3-carboxylic acid
CID 23647303
4-({2,6-Difluoro-4-[3-(trifluoromethoxy)phenyl]phenyl}carbamoyl)thiophene-3-carboxylic acid
CID 23647304
3-[(2,6-Difluorobenzoyl)amino]-5-(4-ethoxyphenyl)thiophene-2-carboxylic acid
CID 23602075
3-{[2-Fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}thiophene-2,4-dicarboxylic acid
CID 23647305
3-{[2-Fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}thiophene-2,5-dicarboxylic acid
CID 23647306

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-ethoxyphenyl)-2,6-difluorophenyl]carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[[4-(3-ethoxyphenyl)-2,6-difluorophenyl]carbamoyl]thiophene-2-carboxylic acid (CID 23647299) is 3-[[4-(3-ethoxyphenyl)-2,6-difluorophenyl]carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[4-(3-ethoxyphenyl)-2,6-difluorophenyl]carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[[4-(3-ethoxyphenyl)-2,6-difluorophenyl]carbamoyl]thiophene-2-carboxylic acid is CCOc1cccc(-c2cc(F)c(NC(=O)c3ccsc3C(=O)O)c(F)c2)c1.
What is the InChIKey of 3-[[4-(3-ethoxyphenyl)-2,6-difluorophenyl]carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is FQIHPSGODYSCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO4S/c1-2-27-13-5-3-4-11(8-13)12-9-15(21)17(16(22)10-12)23-19(24)14-6-7-28-18(14)20(25)26/h3-10H,2H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 3-[[4-(3-ethoxyphenyl)-2,6-difluorophenyl]carbamoyl]thiophene-2-carboxylic acid?
3-[[4-(3-ethoxyphenyl)-2,6-difluorophenyl]carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 403.41 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-ethoxyphenyl)-2,6-difluorophenyl]carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 23647299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).