N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide

C8H11NO2S — CID 60637044

IUPACN-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide
SMILESCNC(=O)c1ccc(CSC)o1
InChIInChI=1S/C8H11NO2S/c1-9-8(10)7-4-3-6(11-7)5-12-2/h3-4H,5H2,1-2H3,(H,9,10)
InChIKeyDWTDUWOJERPXLE-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.50
Rot. Bonds3

About N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide

N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide (PubChem CID 60637044) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide
PubChem CID60637044
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC NameN-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide
SMILESCNC(=O)c1ccc(CSC)o1
InChIInChI=1S/C8H11NO2S/c1-9-8(10)7-4-3-6(11-7)5-12-2/h3-4H,5H2,1-2H3,(H,9,10)
InChIKeyDWTDUWOJERPXLE-UHFFFAOYSA-N
XLogP1.50
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 113435006
N-(3-hydroxy-2-methylbutan-2-yl)-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 113372208
N-(1-hydroxy-3-methylbutan-2-yl)-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 79253016
N-(4-hydroxy-3-methylbutan-2-yl)-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 113339313
N-[2-(5-methylfuran-2-yl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 90652745
(2R)-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-2-phenylacetic acid
CID 61145316
methyl 2-hydroxy-3-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]propanoate
CID 103958190
methyl 3-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]butanoate
CID 113219425
4-methyl-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]pentanoic acid
CID 43170140
2-[1-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 81164337
N-[2-(3-hydroxypropylsulfanyl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 103800603

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide (CID 60637044) is N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide is CNC(=O)c1ccc(CSC)o1.
What is the InChIKey of N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is DWTDUWOJERPXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-9-8(10)7-4-3-6(11-7)5-12-2/h3-4H,5H2,1-2H3,(H,9,10).
What are the key properties of N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide?
N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 185.25 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 60637044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).