4-fluoro-N-(2-hydroxypropyl)-N,3-dimethyl-1-benzothiophene-2-carboxamide

C14H16FNO2S — CID 55060619

IUPAC4-fluoro-N-(2-hydroxypropyl)-N,3-dimethyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)N(C)CC(C)O)sc2cccc(F)c12
InChIInChI=1S/C14H16FNO2S/c1-8(17)7-16(3)14(18)13-9(2)12-10(15)5-4-6-11(12)19-13/h4-6,8,17H,7H2,1-3H3
InChIKeyOSWZSIIDLFRZHI-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.80
Rot. Bonds3

About 4-fluoro-N-(2-hydroxypropyl)-N,3-dimethyl-1-benzothiophene-2-carboxamide

4-fluoro-N-(2-hydroxypropyl)-N,3-dimethyl-1-benzothiophene-2-carboxamide (PubChem CID 55060619) has the molecular formula C14H16FNO2S and a molecular weight of 281.35 g/mol. Its IUPAC name is 4-fluoro-N-(2-hydroxypropyl)-N,3-dimethyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(2-hydroxypropyl)-N,3-dimethyl-1-benzothiophene-2-carboxamide
PubChem CID55060619
Molecular FormulaC14H16FNO2S
Molecular Weight281.35 g/mol
Exact Mass281.09
IUPAC Name4-fluoro-N-(2-hydroxypropyl)-N,3-dimethyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)N(C)CC(C)O)sc2cccc(F)c12
InChIInChI=1S/C14H16FNO2S/c1-8(17)7-16(3)14(18)13-9(2)12-10(15)5-4-6-11(12)19-13/h4-6,8,17H,7H2,1-3H3
InChIKeyOSWZSIIDLFRZHI-UHFFFAOYSA-N
XLogP2.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-hydroxypropyl)-N,3-dimethyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-(2-hydroxypropyl)-N,3-dimethyl-1-benzothiophene-2-carboxamide (CID 55060619) is 4-fluoro-N-(2-hydroxypropyl)-N,3-dimethyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-(2-hydroxypropyl)-N,3-dimethyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-(2-hydroxypropyl)-N,3-dimethyl-1-benzothiophene-2-carboxamide is Cc1c(C(=O)N(C)CC(C)O)sc2cccc(F)c12.
What is the InChIKey of 4-fluoro-N-(2-hydroxypropyl)-N,3-dimethyl-1-benzothiophene-2-carboxamide?
The InChIKey is OSWZSIIDLFRZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2S/c1-8(17)7-16(3)14(18)13-9(2)12-10(15)5-4-6-11(12)19-13/h4-6,8,17H,7H2,1-3H3.
What are the key properties of 4-fluoro-N-(2-hydroxypropyl)-N,3-dimethyl-1-benzothiophene-2-carboxamide?
4-fluoro-N-(2-hydroxypropyl)-N,3-dimethyl-1-benzothiophene-2-carboxamide has a molecular weight of 281.35 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-hydroxypropyl)-N,3-dimethyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 55060619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).