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

C16H12FN3O3S — CID 11462092

IUPAC2-[(4-fluorophenyl)carbamoylamino]-6-hydroxy-1-benzothiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)Nc2ccc(F)cc2)sc2cc(O)ccc12
InChIInChI=1S/C16H12FN3O3S/c17-8-1-3-9(4-2-8)19-16(23)20-15-13(14(18)22)11-6-5-10(21)7-12(11)24-15/h1-7,21H,(H2,18,22)(H2,19,20,23)
InChIKeySKWRKFPXFOEPEA-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.49
Rot. Bonds3

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

2-[(4-fluorophenyl)carbamoylamino]-6-hydroxy-1-benzothiophene-3-carboxamide (PubChem CID 11462092) has the molecular formula C16H12FN3O3S and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)carbamoylamino]-6-hydroxy-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)carbamoylamino]-6-hydroxy-1-benzothiophene-3-carboxamide
PubChem CID11462092
Molecular FormulaC16H12FN3O3S
Molecular Weight345.36 g/mol
Exact Mass345.06
IUPAC Name2-[(4-fluorophenyl)carbamoylamino]-6-hydroxy-1-benzothiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)Nc2ccc(F)cc2)sc2cc(O)ccc12
InChIInChI=1S/C16H12FN3O3S/c17-8-1-3-9(4-2-8)19-16(23)20-15-13(14(18)22)11-6-5-10(21)7-12(11)24-15/h1-7,21H,(H2,18,22)(H2,19,20,23)
InChIKeySKWRKFPXFOEPEA-UHFFFAOYSA-N
XLogP3.49
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)carbamoylamino]-6-hydroxy-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)carbamoylamino]-6-hydroxy-1-benzothiophene-3-carboxamide (CID 11462092) is 2-[(4-fluorophenyl)carbamoylamino]-6-hydroxy-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)carbamoylamino]-6-hydroxy-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)carbamoylamino]-6-hydroxy-1-benzothiophene-3-carboxamide is NC(=O)c1c(NC(=O)Nc2ccc(F)cc2)sc2cc(O)ccc12.
What is the InChIKey of 2-[(4-fluorophenyl)carbamoylamino]-6-hydroxy-1-benzothiophene-3-carboxamide?
The InChIKey is SKWRKFPXFOEPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3S/c17-8-1-3-9(4-2-8)19-16(23)20-15-13(14(18)22)11-6-5-10(21)7-12(11)24-15/h1-7,21H,(H2,18,22)(H2,19,20,23).
What are the key properties of 2-[(4-fluorophenyl)carbamoylamino]-6-hydroxy-1-benzothiophene-3-carboxamide?
2-[(4-fluorophenyl)carbamoylamino]-6-hydroxy-1-benzothiophene-3-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 3.49, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)carbamoylamino]-6-hydroxy-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 11462092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).