N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide

C19H19ClN2OS — CID 24638739

IUPACN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide
SMILESCN(C)C(CNC(=O)c1csc2ccccc12)c1ccccc1Cl
InChIInChI=1S/C19H19ClN2OS/c1-22(2)17(14-8-3-5-9-16(14)20)11-21-19(23)15-12-24-18-10-6-4-7-13(15)18/h3-10,12,17H,11H2,1-2H3,(H,21,23)
InChIKeyFITJKPZXEYVHTN-UHFFFAOYSA-N
MW358.89 g/mol
LogP4.59
Rot. Bonds5

About N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide

N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide (PubChem CID 24638739) has the molecular formula C19H19ClN2OS and a molecular weight of 358.89 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide
PubChem CID24638739
Molecular FormulaC19H19ClN2OS
Molecular Weight358.89 g/mol
Exact Mass358.09
IUPAC NameN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide
SMILESCN(C)C(CNC(=O)c1csc2ccccc12)c1ccccc1Cl
InChIInChI=1S/C19H19ClN2OS/c1-22(2)17(14-8-3-5-9-16(14)20)11-21-19(23)15-12-24-18-10-6-4-7-13(15)18/h3-10,12,17H,11H2,1-2H3,(H,21,23)
InChIKeyFITJKPZXEYVHTN-UHFFFAOYSA-N
XLogP4.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-chlorobenzamide
CID 121023264
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-hydroxybenzamide
CID 51866833
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-benzothiophene-3-carboxamide
CID 32692271
2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 8916135
N-[(2S)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide
CID 83030979
N-(3-amino-2-methylpropyl)-1-benzothiophene-3-carboxamide
CID 115271656
5-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 42910726
N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide
CID 13058563
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-hydroxy-3-methoxybenzamide
CID 112772394
N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 131703199
N-(2-hydroxy-4-methylpentyl)-1-benzothiophene-3-carboxamide
CID 103770892
N-(2,2-diethoxyethyl)-1-benzothiophene-3-carboxamide
CID 112723140

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide (CID 24638739) is N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide is CN(C)C(CNC(=O)c1csc2ccccc12)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide?
The InChIKey is FITJKPZXEYVHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2OS/c1-22(2)17(14-8-3-5-9-16(14)20)11-21-19(23)15-12-24-18-10-6-4-7-13(15)18/h3-10,12,17H,11H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide?
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide has a molecular weight of 358.89 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 24638739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).