N-[(2S)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide

C12H13NO2S — CID 83030979

IUPACN-[(2S)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide
SMILESC[C@H](O)CNC(=O)c1csc2ccccc12
InChIInChI=1S/C12H13NO2S/c1-8(14)6-13-12(15)10-7-16-11-5-3-2-4-9(10)11/h2-5,7-8,14H,6H2,1H3,(H,13,15)/t8-/m0/s1
InChIKeyZMFZKJQADHUNJP-QMMMGPOBSA-N
MW235.31 g/mol
LogP2.01
Rot. Bonds3

About N-[(2S)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide

N-[(2S)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide (PubChem CID 83030979) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide
PubChem CID83030979
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC NameN-[(2S)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide
SMILESC[C@H](O)CNC(=O)c1csc2ccccc12
InChIInChI=1S/C12H13NO2S/c1-8(14)6-13-12(15)10-7-16-11-5-3-2-4-9(10)11/h2-5,7-8,14H,6H2,1H3,(H,13,15)/t8-/m0/s1
InChIKeyZMFZKJQADHUNJP-QMMMGPOBSA-N
XLogP2.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-4-methylpentyl)-1-benzothiophene-3-carboxamide
CID 103770892
N-(3-amino-2-methylpropyl)-1-benzothiophene-3-carboxamide
CID 115271656
N-(2,2-diethoxyethyl)-1-benzothiophene-3-carboxamide
CID 112723140
N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide
CID 13058563
N-(4-chloropentyl)-1-benzothiophene-3-carboxamide
CID 114147435
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide
CID 24638739
N-(3-hydroxy-2-methylbutan-2-yl)-1-benzothiophene-3-carboxamide
CID 115884348
N-(1-bromopropan-2-yl)-1-benzothiophene-3-carboxamide
CID 114310766
N-[3-(methylamino)propyl]-1-benzothiophene-3-carboxamide
CID 55012748
N-(3-imidazol-1-yl-2-methylpropyl)-1-benzothiophene-3-carboxamide
CID 122141828
N-(2-methylsulfonylethyl)-1-benzothiophene-3-carboxamide
CID 60545184
N-[(2S)-3,3-dimethylbutan-2-yl]-1-benzothiophene-3-carboxamide
CID 1246729

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide (CID 83030979) is N-[(2S)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide is C[C@H](O)CNC(=O)c1csc2ccccc12.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide?
The InChIKey is ZMFZKJQADHUNJP-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-8(14)6-13-12(15)10-7-16-11-5-3-2-4-9(10)11/h2-5,7-8,14H,6H2,1H3,(H,13,15)/t8-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide?
N-[(2S)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide has a molecular weight of 235.31 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 83030979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).