5-methoxy-3-methyl-N-[2-(methylamino)ethyl]-1-benzothiophene-2-carboxamide

C14H18N2O2S — CID 119502573

IUPAC5-methoxy-3-methyl-N-[2-(methylamino)ethyl]-1-benzothiophene-2-carboxamide
SMILESCNCCNC(=O)c1sc2ccc(OC)cc2c1C
InChIInChI=1S/C14H18N2O2S/c1-9-11-8-10(18-3)4-5-12(11)19-13(9)14(17)16-7-6-15-2/h4-5,8,15H,6-7H2,1-3H3,(H,16,17)
InChIKeyBSGANXUWYYOSLN-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.17
Rot. Bonds5

About 5-methoxy-3-methyl-N-[2-(methylamino)ethyl]-1-benzothiophene-2-carboxamide

5-methoxy-3-methyl-N-[2-(methylamino)ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 119502573) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 5-methoxy-3-methyl-N-[2-(methylamino)ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-3-methyl-N-[2-(methylamino)ethyl]-1-benzothiophene-2-carboxamide
PubChem CID119502573
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name5-methoxy-3-methyl-N-[2-(methylamino)ethyl]-1-benzothiophene-2-carboxamide
SMILESCNCCNC(=O)c1sc2ccc(OC)cc2c1C
InChIInChI=1S/C14H18N2O2S/c1-9-11-8-10(18-3)4-5-12(11)19-13(9)14(17)16-7-6-15-2/h4-5,8,15H,6-7H2,1-3H3,(H,16,17)
InChIKeyBSGANXUWYYOSLN-UHFFFAOYSA-N
XLogP2.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-methoxy-3-methyl-N-[2-(methylamino)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-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide
CID 119997904
N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride
CID 119997903
5-methoxy-3-methyl-N-(3-piperazin-1-ylpropyl)-1-benzothiophene-2-carboxamide;hydrochloride
CID 119392997
N-(1-amino-4-methylpentan-2-yl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide
CID 119587432
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide
CID 119607591
5-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 119512740
N-(1-aminopropan-2-yl)-5-methoxy-N,3-dimethyl-1-benzothiophene-2-carboxamide
CID 119583657
3-[ethyl-(5-methoxy-3-methyl-1-benzothiophene-2-carbonyl)amino]propanoic acid
CID 119191265
3-chloro-5-methoxy-N-pentyl-1-benzothiophene-2-carboxamide
CID 19225565
(2S)-2-[(5-methoxy-3-methyl-1-benzothiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 119360630
3-[(5-methoxy-3-methyl-1-benzothiophene-2-carbonyl)-propan-2-ylamino]propanoic acid
CID 119207244
cis-(1S,3R)-3-[(5-methoxy-3-methyl-1-benzothiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120676461

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-N-[2-(methylamino)ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-methoxy-3-methyl-N-[2-(methylamino)ethyl]-1-benzothiophene-2-carboxamide (CID 119502573) is 5-methoxy-3-methyl-N-[2-(methylamino)ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-methoxy-3-methyl-N-[2-(methylamino)ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-methoxy-3-methyl-N-[2-(methylamino)ethyl]-1-benzothiophene-2-carboxamide is CNCCNC(=O)c1sc2ccc(OC)cc2c1C.
What is the InChIKey of 5-methoxy-3-methyl-N-[2-(methylamino)ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is BSGANXUWYYOSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-9-11-8-10(18-3)4-5-12(11)19-13(9)14(17)16-7-6-15-2/h4-5,8,15H,6-7H2,1-3H3,(H,16,17).
What are the key properties of 5-methoxy-3-methyl-N-[2-(methylamino)ethyl]-1-benzothiophene-2-carboxamide?
5-methoxy-3-methyl-N-[2-(methylamino)ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-N-[2-(methylamino)ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 119502573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).