N-(3-methoxypropyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide

C14H18N2O3S — CID 46396000

IUPACN-(3-methoxypropyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide
SMILESCOCCCNC(=O)Cn1ccc2sc(C)cc2c1=O
InChIInChI=1S/C14H18N2O3S/c1-10-8-11-12(20-10)4-6-16(14(11)18)9-13(17)15-5-3-7-19-2/h4,6,8H,3,5,7,9H2,1-2H3,(H,15,17)
InChIKeyNKXVTRUPHYFSOG-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.52
Rot. Bonds6

About N-(3-methoxypropyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide

N-(3-methoxypropyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide (PubChem CID 46396000) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide
PubChem CID46396000
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-(3-methoxypropyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide
SMILESCOCCCNC(=O)Cn1ccc2sc(C)cc2c1=O
InChIInChI=1S/C14H18N2O3S/c1-10-8-11-12(20-10)4-6-16(14(11)18)9-13(17)15-5-3-7-19-2/h4,6,8H,3,5,7,9H2,1-2H3,(H,15,17)
InChIKeyNKXVTRUPHYFSOG-UHFFFAOYSA-N
XLogP1.52
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46395960
N-(2,4-difluorophenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46395963
1-[2-(3-methoxypropylamino)-2-oxoethyl]-2-methylpyrrole-3-carboxylic acid
CID 114189448
N-(3-methoxypropyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 46418575
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxypropyl)acetamide
CID 110688767
2-(5-fluoroindol-1-yl)-N-(3-methoxypropyl)acetamide
CID 63850800
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 114585479
2-(4-methoxyindol-1-yl)-N-(3-methoxypropyl)acetamide
CID 83173338
N-[1-[2-(3-methoxypropylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide
CID 45268260
2-[6-(hydroxymethyl)indol-1-yl]-N-(3-methoxypropyl)acetamide
CID 102912972
N-(3-methoxypropyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 8521152
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide
CID 51095007

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide (CID 46396000) is N-(3-methoxypropyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide is COCCCNC(=O)Cn1ccc2sc(C)cc2c1=O.
What is the InChIKey of N-(3-methoxypropyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide?
The InChIKey is NKXVTRUPHYFSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-10-8-11-12(20-10)4-6-16(14(11)18)9-13(17)15-5-3-7-19-2/h4,6,8H,3,5,7,9H2,1-2H3,(H,15,17).
What are the key properties of N-(3-methoxypropyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide?
N-(3-methoxypropyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide has a molecular weight of 294.38 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide is sourced from PubChem (CID 46396000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).