N-[(2-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide

C21H24N2O3S — CID 53167284

IUPACN-[(2-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1c(C)sc2ccn(CC(C)C)c(=O)c12
InChIInChI=1S/C21H24N2O3S/c1-13(2)12-23-10-9-17-19(21(23)25)18(14(3)27-17)20(24)22-11-15-7-5-6-8-16(15)26-4/h5-10,13H,11-12H2,1-4H3,(H,22,24)
InChIKeyJIZBCMZDAKKLTQ-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.97
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide

N-[(2-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide (PubChem CID 53167284) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide
PubChem CID53167284
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1c(C)sc2ccn(CC(C)C)c(=O)c12
InChIInChI=1S/C21H24N2O3S/c1-13(2)12-23-10-9-17-19(21(23)25)18(14(3)27-17)20(24)22-11-15-7-5-6-8-16(15)26-4/h5-10,13H,11-12H2,1-4H3,(H,22,24)
InChIKeyJIZBCMZDAKKLTQ-UHFFFAOYSA-N
XLogP3.97
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-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-fluorophenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide
CID 53167280
N-[(2-ethoxyphenyl)methyl]-2,5-dimethyl-4-oxothieno[3,2-c]pyridine-3-carboxamide
CID 87051481
N-[(2-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 20925104
N-[(2-methoxyphenyl)methyl]-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 53134343
N-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 26734258
4-amino-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 61091924
2-hydroxy-N-[(2-methoxyphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681072
N-[(2-methoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
CID 110762648
N-[(2-methoxyphenyl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103966
N-[(2-methoxyphenyl)methyl]-2-(1-oxoisoquinolin-2-yl)acetamide
CID 4171042
(2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide
CID 9291152
N-[(2-methoxyphenyl)methyl]-1-oxoisothiochromene-3-carboxamide
CID 17015294

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide (CID 53167284) is N-[(2-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide is COc1ccccc1CNC(=O)c1c(C)sc2ccn(CC(C)C)c(=O)c12.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide?
The InChIKey is JIZBCMZDAKKLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-13(2)12-23-10-9-17-19(21(23)25)18(14(3)27-17)20(24)22-11-15-7-5-6-8-16(15)26-4/h5-10,13H,11-12H2,1-4H3,(H,22,24).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide?
N-[(2-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 53167284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).