6-fluoro-N-(1H-pyrrol-3-ylmethyl)-1-benzothiophene-2-carboxamide

C14H11FN2OS — CID 106385448

IUPAC6-fluoro-N-(1H-pyrrol-3-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1cc[nH]c1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C14H11FN2OS/c15-11-2-1-10-5-13(19-12(10)6-11)14(18)17-8-9-3-4-16-7-9/h1-7,16H,8H2,(H,17,18)
InChIKeyUNMHIPVUDMESNZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.30
Rot. Bonds3

About 6-fluoro-N-(1H-pyrrol-3-ylmethyl)-1-benzothiophene-2-carboxamide

6-fluoro-N-(1H-pyrrol-3-ylmethyl)-1-benzothiophene-2-carboxamide (PubChem CID 106385448) has the molecular formula C14H11FN2OS and a molecular weight of 274.32 g/mol. Its IUPAC name is 6-fluoro-N-(1H-pyrrol-3-ylmethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(1H-pyrrol-3-ylmethyl)-1-benzothiophene-2-carboxamide
PubChem CID106385448
Molecular FormulaC14H11FN2OS
Molecular Weight274.32 g/mol
Exact Mass274.06
IUPAC Name6-fluoro-N-(1H-pyrrol-3-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1cc[nH]c1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C14H11FN2OS/c15-11-2-1-10-5-13(19-12(10)6-11)14(18)17-8-9-3-4-16-7-9/h1-7,16H,8H2,(H,17,18)
InChIKeyUNMHIPVUDMESNZ-UHFFFAOYSA-N
XLogP3.30
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrrolopyridine, 13
CID 16719973
Pyrrolopyridine, 15
CID 16719976
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CID 70681129

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(1H-pyrrol-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-fluoro-N-(1H-pyrrol-3-ylmethyl)-1-benzothiophene-2-carboxamide (CID 106385448) is 6-fluoro-N-(1H-pyrrol-3-ylmethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-(1H-pyrrol-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-fluoro-N-(1H-pyrrol-3-ylmethyl)-1-benzothiophene-2-carboxamide is O=C(NCc1cc[nH]c1)c1cc2ccc(F)cc2s1.
What is the InChIKey of 6-fluoro-N-(1H-pyrrol-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is UNMHIPVUDMESNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2OS/c15-11-2-1-10-5-13(19-12(10)6-11)14(18)17-8-9-3-4-16-7-9/h1-7,16H,8H2,(H,17,18).
What are the key properties of 6-fluoro-N-(1H-pyrrol-3-ylmethyl)-1-benzothiophene-2-carboxamide?
6-fluoro-N-(1H-pyrrol-3-ylmethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(1H-pyrrol-3-ylmethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 106385448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).