N-(2-hydroxy-4-methylpentyl)-1-benzothiophene-3-carboxamide

C15H19NO2S — CID 103770892

IUPACN-(2-hydroxy-4-methylpentyl)-1-benzothiophene-3-carboxamide
SMILESCC(C)CC(O)CNC(=O)c1csc2ccccc12
InChIInChI=1S/C15H19NO2S/c1-10(2)7-11(17)8-16-15(18)13-9-19-14-6-4-3-5-12(13)14/h3-6,9-11,17H,7-8H2,1-2H3,(H,16,18)
InChIKeySGVFWKIWYPTMBI-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.04
Rot. Bonds5

About N-(2-hydroxy-4-methylpentyl)-1-benzothiophene-3-carboxamide

N-(2-hydroxy-4-methylpentyl)-1-benzothiophene-3-carboxamide (PubChem CID 103770892) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-1-benzothiophene-3-carboxamide
PubChem CID103770892
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC NameN-(2-hydroxy-4-methylpentyl)-1-benzothiophene-3-carboxamide
SMILESCC(C)CC(O)CNC(=O)c1csc2ccccc12
InChIInChI=1S/C15H19NO2S/c1-10(2)7-11(17)8-16-15(18)13-9-19-14-6-4-3-5-12(13)14/h3-6,9-11,17H,7-8H2,1-2H3,(H,16,18)
InChIKeySGVFWKIWYPTMBI-UHFFFAOYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide
CID 83030979
N-(3-amino-2-methylpropyl)-1-benzothiophene-3-carboxamide
CID 115271656
N-(2,2-diethoxyethyl)-1-benzothiophene-3-carboxamide
CID 112723140
2-[(2-hydroxy-4-methylpentyl)carbamoyl]benzoic acid
CID 107151224
N-[3-(methylamino)propyl]-1-benzothiophene-3-carboxamide
CID 55012748
1-(1-benzothiophen-3-yl)-3,5-dimethylhexan-1-one
CID 114201676
1-(1-benzothiophen-3-ylmethylamino)-4-methylpentan-2-ol
CID 103631658
N-(4-chloropentyl)-1-benzothiophene-3-carboxamide
CID 114147435
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide
CID 24638739
N-(1-bromopropan-2-yl)-1-benzothiophene-3-carboxamide
CID 114310766
N-(3-hydroxy-2-methylbutan-2-yl)-1-benzothiophene-3-carboxamide
CID 115884348
N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide
CID 13058563

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-1-benzothiophene-3-carboxamide (CID 103770892) is N-(2-hydroxy-4-methylpentyl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-1-benzothiophene-3-carboxamide is CC(C)CC(O)CNC(=O)c1csc2ccccc12.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-1-benzothiophene-3-carboxamide?
The InChIKey is SGVFWKIWYPTMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-10(2)7-11(17)8-16-15(18)13-9-19-14-6-4-3-5-12(13)14/h3-6,9-11,17H,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-1-benzothiophene-3-carboxamide?
N-(2-hydroxy-4-methylpentyl)-1-benzothiophene-3-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 103770892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).