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

C19H20N2O3S — CID 87051481

IUPACN-[(2-ethoxyphenyl)methyl]-2,5-dimethyl-4-oxothieno[3,2-c]pyridine-3-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1c(C)sc2ccn(C)c(=O)c12
InChIInChI=1S/C19H20N2O3S/c1-4-24-14-8-6-5-7-13(14)11-20-18(22)16-12(2)25-15-9-10-21(3)19(23)17(15)16/h5-10H,4,11H2,1-3H3,(H,20,22)
InChIKeyBGWHTGYLCVQHKX-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.24
Rot. Bonds5

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

N-[(2-ethoxyphenyl)methyl]-2,5-dimethyl-4-oxothieno[3,2-c]pyridine-3-carboxamide (PubChem CID 87051481) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-2,5-dimethyl-4-oxothieno[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-2,5-dimethyl-4-oxothieno[3,2-c]pyridine-3-carboxamide
PubChem CID87051481
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-[(2-ethoxyphenyl)methyl]-2,5-dimethyl-4-oxothieno[3,2-c]pyridine-3-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1c(C)sc2ccn(C)c(=O)c12
InChIInChI=1S/C19H20N2O3S/c1-4-24-14-8-6-5-7-13(14)11-20-18(22)16-12(2)25-15-9-10-21(3)19(23)17(15)16/h5-10H,4,11H2,1-3H3,(H,20,22)
InChIKeyBGWHTGYLCVQHKX-UHFFFAOYSA-N
XLogP3.24
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-methyl-5-(2-methylpropyl)-4-oxothieno[3,2-c]pyridine-3-carboxamide
CID 53167284
2-[2-[(2-ethoxyphenyl)methylamino]-2-oxoethyl]-1,4-dimethylpyrrole-3-carboxylic acid
CID 53095874
N-[(2-ethoxyphenyl)methyl]-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide
CID 171637956
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
2-amino-N-[(2-ethoxyphenyl)methyl]benzamide
CID 134085720
N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 47367776
N-[(2-ethoxyphenyl)methyl]furan-2-carboxamide
CID 28635209
N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide
CID 60565957
N-[(2-ethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 70730689
N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 60565821
N-[(2-ethoxyphenyl)methyl]-5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344676
2-amino-N-[(2-ethoxyphenyl)methyl]acetamide;hydrochloride
CID 119279613

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-2,5-dimethyl-4-oxothieno[3,2-c]pyridine-3-carboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-2,5-dimethyl-4-oxothieno[3,2-c]pyridine-3-carboxamide (CID 87051481) is N-[(2-ethoxyphenyl)methyl]-2,5-dimethyl-4-oxothieno[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-2,5-dimethyl-4-oxothieno[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-2,5-dimethyl-4-oxothieno[3,2-c]pyridine-3-carboxamide is CCOc1ccccc1CNC(=O)c1c(C)sc2ccn(C)c(=O)c12.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-2,5-dimethyl-4-oxothieno[3,2-c]pyridine-3-carboxamide?
The InChIKey is BGWHTGYLCVQHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-4-24-14-8-6-5-7-13(14)11-20-18(22)16-12(2)25-15-9-10-21(3)19(23)17(15)16/h5-10H,4,11H2,1-3H3,(H,20,22).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-2,5-dimethyl-4-oxothieno[3,2-c]pyridine-3-carboxamide?
N-[(2-ethoxyphenyl)methyl]-2,5-dimethyl-4-oxothieno[3,2-c]pyridine-3-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-2,5-dimethyl-4-oxothieno[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 87051481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).