N-(2,3-dihydroxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide

C13H14FNO3S — CID 66170627

IUPACN-(2,3-dihydroxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide
SMILESCC(O)(CO)CNC(=O)c1cc2cc(F)ccc2s1
InChIInChI=1S/C13H14FNO3S/c1-13(18,7-16)6-15-12(17)11-5-8-4-9(14)2-3-10(8)19-11/h2-5,16,18H,6-7H2,1H3,(H,15,17)
InChIKeyIYDAXBQUWIQDLK-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.51
Rot. Bonds4

About N-(2,3-dihydroxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide

N-(2,3-dihydroxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 66170627) has the molecular formula C13H14FNO3S and a molecular weight of 283.32 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide
PubChem CID66170627
Molecular FormulaC13H14FNO3S
Molecular Weight283.32 g/mol
Exact Mass283.07
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide
SMILESCC(O)(CO)CNC(=O)c1cc2cc(F)ccc2s1
InChIInChI=1S/C13H14FNO3S/c1-13(18,7-16)6-15-12(17)11-5-8-4-9(14)2-3-10(8)19-11/h2-5,16,18H,6-7H2,1H3,(H,15,17)
InChIKeyIYDAXBQUWIQDLK-UHFFFAOYSA-N
XLogP1.51
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119627888
5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide
CID 43391508
5-fluoro-N-prop-2-ynyl-1-benzothiophene-2-carboxamide
CID 18110082
6-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-benzothiophene-2-carboxamide
CID 103712560
5-fluoro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
CID 103919162
4-[(5-fluoro-1-benzothiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 80539107
5-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 27259768
5-amino-N-(3-hydroxy-2,2-dimethylpropyl)-1-benzothiophene-2-carboxamide
CID 115357836
N-(2-hydroxy-2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 65109783
5-fluoro-N-[2-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 120830486
3-chloro-N-(2,3-dihydroxy-2-methylpropyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 66170210
N-(2,3-dihydroxy-2-methylpropyl)-3,5-difluorobenzamide
CID 66170625

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide (CID 66170627) is N-(2,3-dihydroxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide is CC(O)(CO)CNC(=O)c1cc2cc(F)ccc2s1.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is IYDAXBQUWIQDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3S/c1-13(18,7-16)6-15-12(17)11-5-8-4-9(14)2-3-10(8)19-11/h2-5,16,18H,6-7H2,1H3,(H,15,17).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide?
N-(2,3-dihydroxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 283.32 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 66170627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).