N-cyclopropyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide

C14H14FNO2S — CID 81104105

IUPACN-cyclopropyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(c1cc2ccc(F)cc2s1)N(CCO)C1CC1
InChIInChI=1S/C14H14FNO2S/c15-10-2-1-9-7-13(19-12(9)8-10)14(18)16(5-6-17)11-3-4-11/h1-2,7-8,11,17H,3-6H2
InChIKeyZEEKRAYRFLYJSV-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.64
Rot. Bonds4

About N-cyclopropyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide

N-cyclopropyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide (PubChem CID 81104105) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is N-cyclopropyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
PubChem CID81104105
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC NameN-cyclopropyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(c1cc2ccc(F)cc2s1)N(CCO)C1CC1
InChIInChI=1S/C14H14FNO2S/c15-10-2-1-9-7-13(19-12(9)8-10)14(18)16(5-6-17)11-3-4-11/h1-2,7-8,11,17H,3-6H2
InChIKeyZEEKRAYRFLYJSV-UHFFFAOYSA-N
XLogP2.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoethyl)-N-cyclobutyl-6-fluoro-1-benzothiophene-2-carboxamide
CID 102872984
N-cyclobutyl-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 102684944
N,N-diethyl-6-fluoro-1-benzothiophene-2-carboxamide
CID 78911895
N-(2-chloroethyl)-6-fluoro-N-methyl-1-benzothiophene-2-carboxamide
CID 81104759
5-fluoro-N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide
CID 119824471
(6-fluoro-1-benzothiophen-2-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 81104737
2-amino-N-cyclobutyl-5-fluoro-N-(2-hydroxyethyl)benzamide
CID 102858956
2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanone
CID 114969325
3-chloro-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 102684482
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 81105088
N-(cyanomethyl)-6-fluoro-N-methyl-1-benzothiophene-2-carboxamide
CID 78915934
N-(2,3-dihydroxypropyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104594

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-cyclopropyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide (CID 81104105) is N-cyclopropyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide is O=C(c1cc2ccc(F)cc2s1)N(CCO)C1CC1.
What is the InChIKey of N-cyclopropyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is ZEEKRAYRFLYJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c15-10-2-1-9-7-13(19-12(9)8-10)14(18)16(5-6-17)11-3-4-11/h1-2,7-8,11,17H,3-6H2.
What are the key properties of N-cyclopropyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide?
N-cyclopropyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 81104105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).