3-chloro-N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide

C14H16ClNO2S — CID 115700960

IUPAC3-chloro-N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide
SMILESCCCC(O)CNC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C14H16ClNO2S/c1-2-5-9(17)8-16-14(18)13-12(15)10-6-3-4-7-11(10)19-13/h3-4,6-7,9,17H,2,5,8H2,1H3,(H,16,18)
InChIKeyVNCKDUXAXFJBIU-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.45
Rot. Bonds5

About 3-chloro-N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide

3-chloro-N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide (PubChem CID 115700960) has the molecular formula C14H16ClNO2S and a molecular weight of 297.81 g/mol. Its IUPAC name is 3-chloro-N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide
PubChem CID115700960
Molecular FormulaC14H16ClNO2S
Molecular Weight297.81 g/mol
Exact Mass297.06
IUPAC Name3-chloro-N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide
SMILESCCCC(O)CNC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C14H16ClNO2S/c1-2-5-9(17)8-16-14(18)13-12(15)10-6-3-4-7-11(10)19-13/h3-4,6-7,9,17H,2,5,8H2,1H3,(H,16,18)
InChIKeyVNCKDUXAXFJBIU-UHFFFAOYSA-N
XLogP3.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 1080679
methyl 3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-2-hydroxypropanoate
CID 103879219
2-[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120534686
(2S)-4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107833904
3-chloro-N-[[4-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 5225240
3-chloro-N-[(3R)-3-hydroxy-3-phenylpropyl]-1-benzothiophene-2-carboxamide
CID 95740862
N-benzyl-3-chloro-1-benzothiophene-2-carboxamide
CID 675718
3-chloro-1-benzothiophene-2-carbohydrazide
CID 606925
ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 2166794
3-chloro-N-(2-chloroprop-2-enyl)-1-benzothiophene-2-carboxamide
CID 115636900
3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 4884538
3-chloro-N-ethoxy-1-benzothiophene-2-carboxamide
CID 18169005

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide (CID 115700960) is 3-chloro-N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide is CCCC(O)CNC(=O)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide?
The InChIKey is VNCKDUXAXFJBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2S/c1-2-5-9(17)8-16-14(18)13-12(15)10-6-3-4-7-11(10)19-13/h3-4,6-7,9,17H,2,5,8H2,1H3,(H,16,18).
What are the key properties of 3-chloro-N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide?
3-chloro-N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide has a molecular weight of 297.81 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 115700960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).