3-chloro-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide

C15H15ClFNO2S — CID 102684482

IUPAC3-chloro-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(c1sc2cc(F)ccc2c1Cl)N(CCO)C1CCC1
InChIInChI=1S/C15H15ClFNO2S/c16-13-11-5-4-9(17)8-12(11)21-14(13)15(20)18(6-7-19)10-2-1-3-10/h4-5,8,10,19H,1-3,6-7H2
InChIKeyIBLBYPWFTOHZQF-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.68
Rot. Bonds4

About 3-chloro-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide

3-chloro-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide (PubChem CID 102684482) has the molecular formula C15H15ClFNO2S and a molecular weight of 327.81 g/mol. Its IUPAC name is 3-chloro-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
PubChem CID102684482
Molecular FormulaC15H15ClFNO2S
Molecular Weight327.81 g/mol
Exact Mass327.05
IUPAC Name3-chloro-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(c1sc2cc(F)ccc2c1Cl)N(CCO)C1CCC1
InChIInChI=1S/C15H15ClFNO2S/c16-13-11-5-4-9(17)8-12(11)21-14(13)15(20)18(6-7-19)10-2-1-3-10/h4-5,8,10,19H,1-3,6-7H2
InChIKeyIBLBYPWFTOHZQF-UHFFFAOYSA-N
XLogP3.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-1-benzothiophene-2-carboxamide
CID 102866935
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate
CID 2357974
3-chloro-N-cyclohexyl-6-fluoro-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-1-benzothiophene-2-carboxamide
CID 3194329
N-cyclopropyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 81104105
N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 102684363
2-amino-N-cyclobutyl-5-fluoro-N-(2-hydroxyethyl)benzamide
CID 102858956
N-cyclopentyl-5-fluoro-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 115298997
azepan-1-yl-(3-chloro-6-fluoro-1-benzothiophen-2-yl)methanone
CID 2426410
N-(3-amino-2-hydroxy-3-oxopropyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
CID 106164712
3-chloro-N-ethyl-6-fluoro-N-phenyl-1-benzothiophene-2-carboxamide
CID 18190734
N-cyclopentyl-4-fluoro-N-(2-hydroxyethyl)-2-iodobenzamide
CID 103863295
3-chloro-N'-(cyclopropanecarbonyl)-6-fluoro-1-benzothiophene-2-carbohydrazide
CID 26586793

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide (CID 102684482) is 3-chloro-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide is O=C(c1sc2cc(F)ccc2c1Cl)N(CCO)C1CCC1.
What is the InChIKey of 3-chloro-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is IBLBYPWFTOHZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2S/c16-13-11-5-4-9(17)8-12(11)21-14(13)15(20)18(6-7-19)10-2-1-3-10/h4-5,8,10,19H,1-3,6-7H2.
What are the key properties of 3-chloro-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide?
3-chloro-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 327.81 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 102684482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).