6-hydroxy-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1-benzothiophene-3-carboxamide

C17H12F3N3O3S — CID 11234836

IUPAC6-hydroxy-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1-benzothiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)Nc2ccc(C(F)(F)F)cc2)sc2cc(O)ccc12
InChIInChI=1S/C17H12F3N3O3S/c18-17(19,20)8-1-3-9(4-2-8)22-16(26)23-15-13(14(21)25)11-6-5-10(24)7-12(11)27-15/h1-7,24H,(H2,21,25)(H2,22,23,26)
InChIKeySMYSOTSAHMOANJ-UHFFFAOYSA-N
MW395.36 g/mol
LogP4.37
Rot. Bonds3

About 6-hydroxy-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1-benzothiophene-3-carboxamide

6-hydroxy-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1-benzothiophene-3-carboxamide (PubChem CID 11234836) has the molecular formula C17H12F3N3O3S and a molecular weight of 395.36 g/mol. Its IUPAC name is 6-hydroxy-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name6-hydroxy-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1-benzothiophene-3-carboxamide
PubChem CID11234836
Molecular FormulaC17H12F3N3O3S
Molecular Weight395.36 g/mol
Exact Mass395.06
IUPAC Name6-hydroxy-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1-benzothiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)Nc2ccc(C(F)(F)F)cc2)sc2cc(O)ccc12
InChIInChI=1S/C17H12F3N3O3S/c18-17(19,20)8-1-3-9(4-2-8)22-16(26)23-15-13(14(21)25)11-6-5-10(24)7-12(11)27-15/h1-7,24H,(H2,21,25)(H2,22,23,26)
InChIKeySMYSOTSAHMOANJ-UHFFFAOYSA-N
XLogP4.37
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.36
LogP ≤ 54.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1-benzothiophene-3-carboxamide?
The IUPAC name of 6-hydroxy-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1-benzothiophene-3-carboxamide (CID 11234836) is 6-hydroxy-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 6-hydroxy-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1-benzothiophene-3-carboxamide?
The canonical SMILES for 6-hydroxy-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1-benzothiophene-3-carboxamide is NC(=O)c1c(NC(=O)Nc2ccc(C(F)(F)F)cc2)sc2cc(O)ccc12.
What is the InChIKey of 6-hydroxy-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1-benzothiophene-3-carboxamide?
The InChIKey is SMYSOTSAHMOANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O3S/c18-17(19,20)8-1-3-9(4-2-8)22-16(26)23-15-13(14(21)25)11-6-5-10(24)7-12(11)27-15/h1-7,24H,(H2,21,25)(H2,22,23,26).
What are the key properties of 6-hydroxy-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1-benzothiophene-3-carboxamide?
6-hydroxy-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1-benzothiophene-3-carboxamide has a molecular weight of 395.36 g/mol, XLogP of 4.37, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 11234836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).