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

C9H13NO3S — CID 60644798

IUPACN-methoxy-N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide
SMILESCON(C)C(=O)c1ccc(CSC)o1
InChIInChI=1S/C9H13NO3S/c1-10(12-2)9(11)8-5-4-7(13-8)6-14-3/h4-5H,6H2,1-3H3
InChIKeyYSEVSAXZLONMBF-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.78
Rot. Bonds4

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

N-methoxy-N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide (PubChem CID 60644798) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is N-methoxy-N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide
PubChem CID60644798
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC NameN-methoxy-N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide
SMILESCON(C)C(=O)c1ccc(CSC)o1
InChIInChI=1S/C9H13NO3S/c1-10(12-2)9(11)8-5-4-7(13-8)6-14-3/h4-5H,6H2,1-3H3
InChIKeyYSEVSAXZLONMBF-UHFFFAOYSA-N
XLogP1.78
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[cyclopentyl-[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]acetate
CID 80718187
N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 60637044
methyl 6-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]hexanoate
CID 43404526
methyl 2-hydroxy-3-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]propanoate
CID 103958190
2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]-prop-2-ynylamino]acetic acid
CID 79278669
N-methyl-5-(methylsulfanylmethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide
CID 64509939
N-methoxy-N-methyl-3-(methylsulfanylmethyl)benzamide
CID 60717294
methyl 3-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]butanoate
CID 113219425
6-chloro-N-methoxy-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide
CID 172555899
[5-(methylsulfanylmethyl)furan-2-yl]-piperidin-1-ylmethanone
CID 60634727
N-[2-(5-methylfuran-2-yl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 90652745
5-(2-fluorophenyl)-N-methoxy-N-methylfuran-2-carboxamide
CID 78797464

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-methoxy-N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide (CID 60644798) is N-methoxy-N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide is CON(C)C(=O)c1ccc(CSC)o1.
What is the InChIKey of N-methoxy-N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is YSEVSAXZLONMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-10(12-2)9(11)8-5-4-7(13-8)6-14-3/h4-5H,6H2,1-3H3.
What are the key properties of N-methoxy-N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide?
N-methoxy-N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 215.27 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 60644798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).