6-fluoro-N-(2-hydroxy-3-methoxypropyl)-1-benzothiophene-2-carboxamide

C13H14FNO3S — CID 81104803

IUPAC6-fluoro-N-(2-hydroxy-3-methoxypropyl)-1-benzothiophene-2-carboxamide
SMILESCOCC(O)CNC(=O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C13H14FNO3S/c1-18-7-10(16)6-15-13(17)12-4-8-2-3-9(14)5-11(8)19-12/h2-5,10,16H,6-7H2,1H3,(H,15,17)
InChIKeyPDLVEWYMFPUBIE-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.78
Rot. Bonds5

About 6-fluoro-N-(2-hydroxy-3-methoxypropyl)-1-benzothiophene-2-carboxamide

6-fluoro-N-(2-hydroxy-3-methoxypropyl)-1-benzothiophene-2-carboxamide (PubChem CID 81104803) has the molecular formula C13H14FNO3S and a molecular weight of 283.32 g/mol. Its IUPAC name is 6-fluoro-N-(2-hydroxy-3-methoxypropyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2-hydroxy-3-methoxypropyl)-1-benzothiophene-2-carboxamide
PubChem CID81104803
Molecular FormulaC13H14FNO3S
Molecular Weight283.32 g/mol
Exact Mass283.07
IUPAC Name6-fluoro-N-(2-hydroxy-3-methoxypropyl)-1-benzothiophene-2-carboxamide
SMILESCOCC(O)CNC(=O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C13H14FNO3S/c1-18-7-10(16)6-15-13(17)12-4-8-2-3-9(14)5-11(8)19-12/h2-5,10,16H,6-7H2,1H3,(H,15,17)
InChIKeyPDLVEWYMFPUBIE-UHFFFAOYSA-N
XLogP1.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydroxypropyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104594
6-fluoro-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 29205600
N-(2-bromo-4-methylpentyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 107157762
6-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-benzothiophene-2-carboxamide
CID 103712560
6-fluoro-N-[2-(propan-2-ylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 81105182
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104472
N-(5-bromo-4-methylpentyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 106157587
6-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-1-benzothiophene-2-carboxamide
CID 78913758
N-(2-amino-2-sulfanylideneethyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104448
6-fluoro-N-(3-iodopropyl)-1-benzothiophene-2-carboxamide
CID 114503955
6-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide
CID 81104873
ethyl 2-[(6-fluoro-1-benzothiophene-2-carbonyl)amino]propanoate
CID 78969683

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-hydroxy-3-methoxypropyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-fluoro-N-(2-hydroxy-3-methoxypropyl)-1-benzothiophene-2-carboxamide (CID 81104803) is 6-fluoro-N-(2-hydroxy-3-methoxypropyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2-hydroxy-3-methoxypropyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-fluoro-N-(2-hydroxy-3-methoxypropyl)-1-benzothiophene-2-carboxamide is COCC(O)CNC(=O)c1cc2ccc(F)cc2s1.
What is the InChIKey of 6-fluoro-N-(2-hydroxy-3-methoxypropyl)-1-benzothiophene-2-carboxamide?
The InChIKey is PDLVEWYMFPUBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3S/c1-18-7-10(16)6-15-13(17)12-4-8-2-3-9(14)5-11(8)19-12/h2-5,10,16H,6-7H2,1H3,(H,15,17).
What are the key properties of 6-fluoro-N-(2-hydroxy-3-methoxypropyl)-1-benzothiophene-2-carboxamide?
6-fluoro-N-(2-hydroxy-3-methoxypropyl)-1-benzothiophene-2-carboxamide has a molecular weight of 283.32 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-hydroxy-3-methoxypropyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 81104803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).