N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-chlorobenzamide

C19H19ClN2OS — CID 121023264

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

About N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-chlorobenzamide

N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-chlorobenzamide (PubChem CID 121023264) has the molecular formula C19H19ClN2OS and a molecular weight of 358.89 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-chlorobenzamide
PubChem CID121023264
Molecular FormulaC19H19ClN2OS
Molecular Weight358.89 g/mol
Exact Mass358.09
IUPAC NameN-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-chlorobenzamide
SMILESCN(C)C(CNC(=O)c1ccccc1Cl)c1csc2ccccc12
InChIInChI=1S/C19H19ClN2OS/c1-22(2)17(15-12-24-18-10-6-4-7-13(15)18)11-21-19(23)14-8-3-5-9-16(14)20/h3-10,12,17H,11H2,1-2H3,(H,21,23)
InChIKeyZHPHKFIIIHLALQ-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-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide
CID 24638739
N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 131703199
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-hydroxybenzamide
CID 51866833
2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 8916135
N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-chloro-6-fluorobenzamide
CID 100724722
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-benzothiophene-3-carboxamide
CID 32692271
N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]naphthalene-1-carboxamide
CID 8701456
2,4-dichloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide
CID 27230027
N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 121023288
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]benzamide
CID 100724295
N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]oxamide
CID 119106059
2,3-dichloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 55350129

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-chlorobenzamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-chlorobenzamide (CID 121023264) is N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-chlorobenzamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-chlorobenzamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-chlorobenzamide is CN(C)C(CNC(=O)c1ccccc1Cl)c1csc2ccccc12.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-chlorobenzamide?
The InChIKey is ZHPHKFIIIHLALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2OS/c1-22(2)17(15-12-24-18-10-6-4-7-13(15)18)11-21-19(23)14-8-3-5-9-16(14)20/h3-10,12,17H,11H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-chlorobenzamide?
N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-chlorobenzamide 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-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-chlorobenzamide is sourced from PubChem (CID 121023264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).