N-[3-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophene-3-carboxamide

C19H20N2O2S — CID 167748258

IUPACN-[3-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophene-3-carboxamide
SMILESCN(C)CCOc1cccc(NC(=O)c2csc3ccccc23)c1
InChIInChI=1S/C19H20N2O2S/c1-21(2)10-11-23-15-7-5-6-14(12-15)20-19(22)17-13-24-18-9-4-3-8-16(17)18/h3-9,12-13H,10-11H2,1-2H3,(H,20,22)
InChIKeyXDDBXCHMFCKFIM-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.09
Rot. Bonds6

About N-[3-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophene-3-carboxamide

N-[3-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophene-3-carboxamide (PubChem CID 167748258) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophene-3-carboxamide
PubChem CID167748258
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-[3-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophene-3-carboxamide
SMILESCN(C)CCOc1cccc(NC(=O)c2csc3ccccc23)c1
InChIInChI=1S/C19H20N2O2S/c1-21(2)10-11-23-15-7-5-6-14(12-15)20-19(22)17-13-24-18-9-4-3-8-16(17)18/h3-9,12-13H,10-11H2,1-2H3,(H,20,22)
InChIKeyXDDBXCHMFCKFIM-UHFFFAOYSA-N
XLogP4.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophene-3-carboxamide 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-[3-[2-(dimethylamino)ethoxy]phenyl]butanamide
CID 60776294
N-[3-(3-cyanopropoxy)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide
CID 55959465
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2,2-dimethylpropanamide
CID 60776296
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 167851966
1-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopropane-1-carboxamide
CID 65464434
2-[2-(dimethylamino)ethoxy]-N-(3-methylphenyl)benzamide
CID 86991936
N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide
CID 71811695
2-(aminomethyl)-N-[3-[3-(dimethylamino)propoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 119885857
N-[3-[2-(dimethylamino)ethoxy]phenyl]-3-methylimidazo[1,5-a]pyridine-6-carboxamide
CID 167888491
(2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide
CID 61180242
2,2,2-trifluoroethyl N-[3-[2-(dimethylamino)ethoxy]phenyl]carbamate
CID 65173309
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-4-carboxamide
CID 166286449

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[3-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophene-3-carboxamide (CID 167748258) is N-[3-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[3-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophene-3-carboxamide is CN(C)CCOc1cccc(NC(=O)c2csc3ccccc23)c1.
What is the InChIKey of N-[3-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophene-3-carboxamide?
The InChIKey is XDDBXCHMFCKFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-21(2)10-11-23-15-7-5-6-14(12-15)20-19(22)17-13-24-18-9-4-3-8-16(17)18/h3-9,12-13H,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-[3-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophene-3-carboxamide?
N-[3-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophene-3-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 167748258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).