3-[(2,6-difluorobenzoyl)amino]-5-phenylthiophene-2-carboxylic acid

C18H11F2NO3S — CID 23602083

IUPAC3-[(2,6-difluorobenzoyl)amino]-5-phenylthiophene-2-carboxylic acid
SMILESO=C(O)c1sc(-c2ccccc2)cc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C18H11F2NO3S/c19-11-7-4-8-12(20)15(11)17(22)21-13-9-14(25-16(13)18(23)24)10-5-2-1-3-6-10/h1-9H,(H,21,22)(H,23,24)
InChIKeyGOMKZQISFHVMJW-UHFFFAOYSA-N
MW359.35 g/mol
LogP4.64
Rot. Bonds4

About 3-[(2,6-difluorobenzoyl)amino]-5-phenylthiophene-2-carboxylic acid

3-[(2,6-difluorobenzoyl)amino]-5-phenylthiophene-2-carboxylic acid (PubChem CID 23602083) has the molecular formula C18H11F2NO3S and a molecular weight of 359.35 g/mol. Its IUPAC name is 3-[(2,6-difluorobenzoyl)amino]-5-phenylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2,6-difluorobenzoyl)amino]-5-phenylthiophene-2-carboxylic acid
PubChem CID23602083
Molecular FormulaC18H11F2NO3S
Molecular Weight359.35 g/mol
Exact Mass359.04
IUPAC Name3-[(2,6-difluorobenzoyl)amino]-5-phenylthiophene-2-carboxylic acid
SMILESO=C(O)c1sc(-c2ccccc2)cc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C18H11F2NO3S/c19-11-7-4-8-12(20)15(11)17(22)21-13-9-14(25-16(13)18(23)24)10-5-2-1-3-6-10/h1-9H,(H,21,22)(H,23,24)
InChIKeyGOMKZQISFHVMJW-UHFFFAOYSA-N
XLogP4.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,6-difluorobenzoyl)amino]-5-(4-methylphenyl)thiophene-2-carboxylic acid
CID 53470422
3-[(2,6-difluorobenzoyl)amino]-5-(4-propan-2-ylphenyl)thiophene-2-carboxylic acid
CID 53470439
3-[(2,6-difluorobenzoyl)amino]-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxylic acid
CID 53495055
2-[(2-carboxy-5-phenylthiophen-3-yl)amino]-2-oxoacetate
CID 59871706
5-(4-chlorophenyl)-3-(methylamino)thiophene-2-carboxylic acid
CID 118486195
5-(3-fluorophenyl)-3-(propan-2-ylamino)thiophene-2-carboxylic acid
CID 71057484
3-(cyclohexylamino)-5-phenylthiophene-2-carboxylic acid
CID 22496289
N-(2,4-difluorophenyl)-2,6-difluorobenzamide
CID 2796874
methyl 3-[(4-methylsulfanylbenzoyl)amino]-5-phenylthiophene-2-carboxylate
CID 7565351
3-[[(1S)-1-carboxy-2-phenylethyl]carbamoylamino]-5-(3-phenylphenyl)thiophene-2-carboxylic acid
CID 118732852
3-[(5-bromothiophene-2-carbonyl)amino]-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid
CID 53470428
2-benzamido-6-fluorobenzoic acid
CID 13389963

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-difluorobenzoyl)amino]-5-phenylthiophene-2-carboxylic acid?
The IUPAC name of 3-[(2,6-difluorobenzoyl)amino]-5-phenylthiophene-2-carboxylic acid (CID 23602083) is 3-[(2,6-difluorobenzoyl)amino]-5-phenylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2,6-difluorobenzoyl)amino]-5-phenylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2,6-difluorobenzoyl)amino]-5-phenylthiophene-2-carboxylic acid is O=C(O)c1sc(-c2ccccc2)cc1NC(=O)c1c(F)cccc1F.
What is the InChIKey of 3-[(2,6-difluorobenzoyl)amino]-5-phenylthiophene-2-carboxylic acid?
The InChIKey is GOMKZQISFHVMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2NO3S/c19-11-7-4-8-12(20)15(11)17(22)21-13-9-14(25-16(13)18(23)24)10-5-2-1-3-6-10/h1-9H,(H,21,22)(H,23,24).
What are the key properties of 3-[(2,6-difluorobenzoyl)amino]-5-phenylthiophene-2-carboxylic acid?
3-[(2,6-difluorobenzoyl)amino]-5-phenylthiophene-2-carboxylic acid has a molecular weight of 359.35 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-difluorobenzoyl)amino]-5-phenylthiophene-2-carboxylic acid is sourced from PubChem (CID 23602083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).