6-hydroxy-2-[[4-(trifluoromethyl)benzoyl]amino]-1-benzothiophene-3-carboxamide

C17H11F3N2O3S — CID 170454070

IUPAC6-hydroxy-2-[[4-(trifluoromethyl)benzoyl]amino]-1-benzothiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)c2ccc(C(F)(F)F)cc2)sc2cc(O)ccc12
InChIInChI=1S/C17H11F3N2O3S/c18-17(19,20)9-3-1-8(2-4-9)15(25)22-16-13(14(21)24)11-6-5-10(23)7-12(11)26-16/h1-7,23H,(H2,21,24)(H,22,25)
InChIKeyKHUWLBSJTSDFCQ-UHFFFAOYSA-N
MW380.35 g/mol
LogP3.98
Rot. Bonds3

About 6-hydroxy-2-[[4-(trifluoromethyl)benzoyl]amino]-1-benzothiophene-3-carboxamide

6-hydroxy-2-[[4-(trifluoromethyl)benzoyl]amino]-1-benzothiophene-3-carboxamide (PubChem CID 170454070) has the molecular formula C17H11F3N2O3S and a molecular weight of 380.35 g/mol. Its IUPAC name is 6-hydroxy-2-[[4-(trifluoromethyl)benzoyl]amino]-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name6-hydroxy-2-[[4-(trifluoromethyl)benzoyl]amino]-1-benzothiophene-3-carboxamide
PubChem CID170454070
Molecular FormulaC17H11F3N2O3S
Molecular Weight380.35 g/mol
Exact Mass380.04
IUPAC Name6-hydroxy-2-[[4-(trifluoromethyl)benzoyl]amino]-1-benzothiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)c2ccc(C(F)(F)F)cc2)sc2cc(O)ccc12
InChIInChI=1S/C17H11F3N2O3S/c18-17(19,20)9-3-1-8(2-4-9)15(25)22-16-13(14(21)24)11-6-5-10(23)7-12(11)26-16/h1-7,23H,(H2,21,24)(H,22,25)
InChIKeyKHUWLBSJTSDFCQ-UHFFFAOYSA-N
XLogP3.98
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[4-(4-Hydroxyphenyl)phenyl]propanoylamino]thiophene-3-carboxylic acid
CID 122181143
N-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-6-hydroxy-1-benzothiophene-2-carboxamide
CID 44296288
Ethyl 7-[(dimethylamino)methyl]-6-hydroxy-2-[[3-(trifluoromethyl)benzoyl]amino]-1-benzothiophene-3-carboxylate
CID 168010640
7-[(dimethylamino)methyl]-2-[(4-fluorobenzoyl)amino]-6-hydroxy-N-methyl-1-benzothiophene-3-carboxamide
CID 167713855
Ethyl 7-[(dimethylamino)methyl]-6-hydroxy-2-[[4-(trifluoromethyl)benzoyl]amino]-1-benzothiophene-3-carboxylate
CID 167713885
6-Hydroxy-2-[[3-(trifluoromethyl)benzoyl]amino]-1-benzothiophene-3-carboxamide
CID 169489500
Ethyl 6-hydroxy-2-[[3-(trifluoromethyl)benzoyl]amino]-1-benzothiophene-3-carboxylate
CID 169489528
6-Hydroxy-2-[[4-(trifluoromethylsulfanyl)phenyl]carbamoylamino]-1-benzothiophene-3-carboxamide
CID 11177821
6-Hydroxy-2-[3-(4-trifluoromethyl-phenyl)-ureido]-benzo[b]thiophene-3-carboxylic acid amide
CID 11234836
7-Chloro-2-[(2,4-difluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide
CID 11269070
2-[[3,5-Bis(trifluoromethyl)benzoyl]amino]-7-chloro-6-hydroxy-1-benzothiophene-3-carboxamide
CID 11443067
2-[(4-Fluorophenyl)carbamoylamino]-6-hydroxy-1-benzothiophene-3-carboxamide
CID 11462092

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-[[4-(trifluoromethyl)benzoyl]amino]-1-benzothiophene-3-carboxamide?
The IUPAC name of 6-hydroxy-2-[[4-(trifluoromethyl)benzoyl]amino]-1-benzothiophene-3-carboxamide (CID 170454070) is 6-hydroxy-2-[[4-(trifluoromethyl)benzoyl]amino]-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 6-hydroxy-2-[[4-(trifluoromethyl)benzoyl]amino]-1-benzothiophene-3-carboxamide?
The canonical SMILES for 6-hydroxy-2-[[4-(trifluoromethyl)benzoyl]amino]-1-benzothiophene-3-carboxamide is NC(=O)c1c(NC(=O)c2ccc(C(F)(F)F)cc2)sc2cc(O)ccc12.
What is the InChIKey of 6-hydroxy-2-[[4-(trifluoromethyl)benzoyl]amino]-1-benzothiophene-3-carboxamide?
The InChIKey is KHUWLBSJTSDFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O3S/c18-17(19,20)9-3-1-8(2-4-9)15(25)22-16-13(14(21)24)11-6-5-10(23)7-12(11)26-16/h1-7,23H,(H2,21,24)(H,22,25).
What are the key properties of 6-hydroxy-2-[[4-(trifluoromethyl)benzoyl]amino]-1-benzothiophene-3-carboxamide?
6-hydroxy-2-[[4-(trifluoromethyl)benzoyl]amino]-1-benzothiophene-3-carboxamide has a molecular weight of 380.35 g/mol, XLogP of 3.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-[[4-(trifluoromethyl)benzoyl]amino]-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 170454070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).