N-[(6-methoxy-3-pyridinyl)methyl]-4-sulfanylthiophene-2-carboxamide

C12H12N2O2S2 — CID 107029146

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-4-sulfanylthiophene-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(S)cs2)cn1
InChIInChI=1S/C12H12N2O2S2/c1-16-11-3-2-8(5-13-11)6-14-12(15)10-4-9(17)7-18-10/h2-5,7,17H,6H2,1H3,(H,14,15)
InChIKeyIFZHCAIRXYESNC-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.37
Rot. Bonds4

About N-[(6-methoxy-3-pyridinyl)methyl]-4-sulfanylthiophene-2-carboxamide

N-[(6-methoxy-3-pyridinyl)methyl]-4-sulfanylthiophene-2-carboxamide (PubChem CID 107029146) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-4-sulfanylthiophene-2-carboxamide
PubChem CID107029146
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-4-sulfanylthiophene-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(S)cs2)cn1
InChIInChI=1S/C12H12N2O2S2/c1-16-11-3-2-8(5-13-11)6-14-12(15)10-4-9(17)7-18-10/h2-5,7,17H,6H2,1H3,(H,14,15)
InChIKeyIFZHCAIRXYESNC-UHFFFAOYSA-N
XLogP2.37
TPSA51.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-sulfanylbenzamide
CID 107029142
N-[(4-propan-2-ylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107027298
N-[2-(4-methoxyphenyl)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107020280
N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 51306029
3,5-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 16602233
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51306023
3,4-dihydroxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 103955476
N-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137147431
4-sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
CID 107028783
2-amino-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 61250537
2,4-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 47136619

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-4-sulfanylthiophene-2-carboxamide (CID 107029146) is N-[(6-methoxy-3-pyridinyl)methyl]-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-4-sulfanylthiophene-2-carboxamide is COc1ccc(CNC(=O)c2cc(S)cs2)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-4-sulfanylthiophene-2-carboxamide?
The InChIKey is IFZHCAIRXYESNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c1-16-11-3-2-8(5-13-11)6-14-12(15)10-4-9(17)7-18-10/h2-5,7,17H,6H2,1H3,(H,14,15).
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-4-sulfanylthiophene-2-carboxamide?
N-[(6-methoxy-3-pyridinyl)methyl]-4-sulfanylthiophene-2-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107029146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).