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

C19H20N2O4S — CID 87051468

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethyl-4-oxothieno[3,2-c]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(C)sc3ccn(C)c(=O)c23)cc1OC
InChIInChI=1S/C19H20N2O4S/c1-11-16(17-15(26-11)7-8-21(2)19(17)23)18(22)20-10-12-5-6-13(24-3)14(9-12)25-4/h5-9H,10H2,1-4H3,(H,20,22)
InChIKeyMIWAJSAHZQMROV-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.86
Rot. Bonds5

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

N-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethyl-4-oxothieno[3,2-c]pyridine-3-carboxamide (PubChem CID 87051468) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethyl-4-oxothieno[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethyl-4-oxothieno[3,2-c]pyridine-3-carboxamide
PubChem CID87051468
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethyl-4-oxothieno[3,2-c]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(C)sc3ccn(C)c(=O)c23)cc1OC
InChIInChI=1S/C19H20N2O4S/c1-11-16(17-15(26-11)7-8-21(2)19(17)23)18(22)20-10-12-5-6-13(24-3)14(9-12)25-4/h5-9H,10H2,1-4H3,(H,20,22)
InChIKeyMIWAJSAHZQMROV-UHFFFAOYSA-N
XLogP2.86
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-2,5-dimethyl-4-oxothieno[3,2-c]pyridine-3-carboxamide
CID 87051481
N-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
CID 110762676
N-[(3,4-dimethoxyphenyl)methyl]-1-methylindole-4-carboxamide
CID 45490502
N-[(2-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide
CID 53167284
N-[(3,4-dimethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 51305032
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 136790876
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 136790854
N-[(3-methoxy-4-propoxyphenyl)methyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55635299
3,4-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 17070342
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55744923
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51143128
N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide
CID 54682420

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethyl-4-oxothieno[3,2-c]pyridine-3-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethyl-4-oxothieno[3,2-c]pyridine-3-carboxamide (CID 87051468) is N-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethyl-4-oxothieno[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethyl-4-oxothieno[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethyl-4-oxothieno[3,2-c]pyridine-3-carboxamide is COc1ccc(CNC(=O)c2c(C)sc3ccn(C)c(=O)c23)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethyl-4-oxothieno[3,2-c]pyridine-3-carboxamide?
The InChIKey is MIWAJSAHZQMROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-11-16(17-15(26-11)7-8-21(2)19(17)23)18(22)20-10-12-5-6-13(24-3)14(9-12)25-4/h5-9H,10H2,1-4H3,(H,20,22).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethyl-4-oxothieno[3,2-c]pyridine-3-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethyl-4-oxothieno[3,2-c]pyridine-3-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethyl-4-oxothieno[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 87051468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).