6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-1-benzothiophene-2-carboxamide

C16H18FNO2S — CID 103860288

IUPAC6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NC1CCCCC1CO)c1cc2ccc(F)cc2s1
InChIInChI=1S/C16H18FNO2S/c17-12-6-5-10-7-15(21-14(10)8-12)16(20)18-13-4-2-1-3-11(13)9-19/h5-8,11,13,19H,1-4,9H2,(H,18,20)
InChIKeyFJQOTPUECUPDAM-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.32
Rot. Bonds3

About 6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-1-benzothiophene-2-carboxamide

6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-1-benzothiophene-2-carboxamide (PubChem CID 103860288) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is 6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-1-benzothiophene-2-carboxamide
PubChem CID103860288
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC Name6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NC1CCCCC1CO)c1cc2ccc(F)cc2s1
InChIInChI=1S/C16H18FNO2S/c17-12-6-5-10-7-15(21-14(10)8-12)16(20)18-13-4-2-1-3-11(13)9-19/h5-8,11,13,19H,1-4,9H2,(H,18,20)
InChIKeyFJQOTPUECUPDAM-UHFFFAOYSA-N
XLogP3.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-1-benzothiophene-2-carboxamide (CID 103860288) is 6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-1-benzothiophene-2-carboxamide is O=C(NC1CCCCC1CO)c1cc2ccc(F)cc2s1.
What is the InChIKey of 6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-1-benzothiophene-2-carboxamide?
The InChIKey is FJQOTPUECUPDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S/c17-12-6-5-10-7-15(21-14(10)8-12)16(20)18-13-4-2-1-3-11(13)9-19/h5-8,11,13,19H,1-4,9H2,(H,18,20).
What are the key properties of 6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-1-benzothiophene-2-carboxamide?
6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-1-benzothiophene-2-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 103860288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).