N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(dimethylamino)benzamide

C19H20N2O2S — CID 91630827

IUPACN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)NCC(O)c2csc3ccccc23)c1
InChIInChI=1S/C19H20N2O2S/c1-21(2)14-7-5-6-13(10-14)19(23)20-11-17(22)16-12-24-18-9-4-3-8-15(16)18/h3-10,12,17,22H,11H2,1-2H3,(H,20,23)
InChIKeyBKNNIBUWBQJBCF-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.43
Rot. Bonds5

About N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(dimethylamino)benzamide

N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(dimethylamino)benzamide (PubChem CID 91630827) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(dimethylamino)benzamide
PubChem CID91630827
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)NCC(O)c2csc3ccccc23)c1
InChIInChI=1S/C19H20N2O2S/c1-21(2)14-7-5-6-13(10-14)19(23)20-11-17(22)16-12-24-18-9-4-3-8-15(16)18/h3-10,12,17,22H,11H2,1-2H3,(H,20,23)
InChIKeyBKNNIBUWBQJBCF-UHFFFAOYSA-N
XLogP3.43
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(dimethylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]benzamide
CID 100724295
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-methyl-3-nitrobenzamide
CID 121179411
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,6-difluorobenzamide
CID 100724458
N-(2-chloropropyl)-3-(dimethylamino)benzamide
CID 114296505
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-phenoxybenzamide
CID 121179463
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylpropanamide
CID 121179337
3-(dimethylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 51941960
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 100724264
3-(dimethylamino)-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 42891486
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1H-indole-2-carboxamide
CID 121179381
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-methyltriazole-4-carboxamide
CID 100725217
N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-chloro-6-fluorobenzamide
CID 100724722

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(dimethylamino)benzamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(dimethylamino)benzamide (CID 91630827) is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(dimethylamino)benzamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(dimethylamino)benzamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(dimethylamino)benzamide is CN(C)c1cccc(C(=O)NCC(O)c2csc3ccccc23)c1.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(dimethylamino)benzamide?
The InChIKey is BKNNIBUWBQJBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-21(2)14-7-5-6-13(10-14)19(23)20-11-17(22)16-12-24-18-9-4-3-8-15(16)18/h3-10,12,17,22H,11H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(dimethylamino)benzamide?
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(dimethylamino)benzamide has a molecular weight of 340.45 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(dimethylamino)benzamide is sourced from PubChem (CID 91630827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).