N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide

C19H19NO3S — CID 2810548

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc3ccccc3s2)cc1OC
InChIInChI=1S/C19H19NO3S/c1-22-15-8-7-13(11-16(15)23-2)9-10-20-19(21)18-12-14-5-3-4-6-17(14)24-18/h3-8,11-12H,9-10H2,1-2H3,(H,20,21)
InChIKeyXQLJHKLLLLQZDV-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.89
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 2810548) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
PubChem CID2810548
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc3ccccc3s2)cc1OC
InChIInChI=1S/C19H19NO3S/c1-22-15-8-7-13(11-16(15)23-2)9-10-20-19(21)18-12-14-5-3-4-6-17(14)24-18/h3-8,11-12H,9-10H2,1-2H3,(H,20,21)
InChIKeyXQLJHKLLLLQZDV-UHFFFAOYSA-N
XLogP3.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-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-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 728907
N-(2-Aminoethyl)-N-(4-(benzyloxy)-3-methoxybenzyl)thiophene-2-carboxamide
CID 11675630
2,3,4,5-Tetrahydro-10-methoxybenzo[b]thieno[2,3-f]-1,5-thiazocin-6-one
CID 53321416
N-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylacetamide
CID 6623334
3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 334181
Thiophene-2-acetamide, N-(3,4-dimethoxyphenethyl)-
CID 785974
N-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5147612
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 1246974
N-[2-(4-methoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2146379
Methyl 3-(3,4-dimethoxyphenyl)-3-[(2-thienylcarbonyl)amino]propanoate
CID 3382837
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4879883
N-[1-(3,4-diethoxyphenyl)ethyl]-2-thiophenecarboxamide
CID 5013707

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide (CID 2810548) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide is COc1ccc(CCNC(=O)c2cc3ccccc3s2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is XQLJHKLLLLQZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-22-15-8-7-13(11-16(15)23-2)9-10-20-19(21)18-12-14-5-3-4-6-17(14)24-18/h3-8,11-12H,9-10H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 2810548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).