5-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]thiophene-2-carboxamide

C14H14N2O3S — CID 38535025

IUPAC5-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]thiophene-2-carboxamide
SMILESCOc1ncccc1CNC(=O)c1ccc(C(C)=O)s1
InChIInChI=1S/C14H14N2O3S/c1-9(17)11-5-6-12(20-11)13(18)16-8-10-4-3-7-15-14(10)19-2/h3-7H,8H2,1-2H3,(H,16,18)
InChIKeyGUAKCWXSKIJCIL-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.28
Rot. Bonds5

About 5-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]thiophene-2-carboxamide

5-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]thiophene-2-carboxamide (PubChem CID 38535025) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 5-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]thiophene-2-carboxamide
PubChem CID38535025
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name5-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]thiophene-2-carboxamide
SMILESCOc1ncccc1CNC(=O)c1ccc(C(C)=O)s1
InChIInChI=1S/C14H14N2O3S/c1-9(17)11-5-6-12(20-11)13(18)16-8-10-4-3-7-15-14(10)19-2/h3-7H,8H2,1-2H3,(H,16,18)
InChIKeyGUAKCWXSKIJCIL-UHFFFAOYSA-N
XLogP2.28
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxy-3-pyridinyl)methyl]-4-(methylsulfanylmethyl)benzamide
CID 38533494
3,5-dibromo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 103907640
2-iodo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533778
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 61213958
5-acetyl-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide
CID 18105799
N-[2-[(2-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-2-phenylacetamide
CID 37486176
4-cyano-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 53184855
2-(aminomethyl)-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 66377255
N-[(2-hydroxyphenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 115598782
3-[(2-methoxy-3-pyridinyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 114898125
1-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 38533454
2,4-dimethoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533824

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]thiophene-2-carboxamide (CID 38535025) is 5-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]thiophene-2-carboxamide is COc1ncccc1CNC(=O)c1ccc(C(C)=O)s1.
What is the InChIKey of 5-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]thiophene-2-carboxamide?
The InChIKey is GUAKCWXSKIJCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-9(17)11-5-6-12(20-11)13(18)16-8-10-4-3-7-15-14(10)19-2/h3-7H,8H2,1-2H3,(H,16,18).
What are the key properties of 5-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]thiophene-2-carboxamide?
5-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]thiophene-2-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 38535025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).