N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide

C15H17FN2O5S — CID 39934885

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(OC)c(F)c2)o1
InChIInChI=1S/C15H17FN2O5S/c1-17-24(20,21)14-7-6-13(23-14)15(19)18(2)9-10-4-5-12(22-3)11(16)8-10/h4-8,17H,9H2,1-3H3
InChIKeyCCGWEIKACSKJCA-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.61
Rot. Bonds6

About N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide

N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide (PubChem CID 39934885) has the molecular formula C15H17FN2O5S and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide
PubChem CID39934885
Molecular FormulaC15H17FN2O5S
Molecular Weight356.38 g/mol
Exact Mass356.08
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(OC)c(F)c2)o1
InChIInChI=1S/C15H17FN2O5S/c1-17-24(20,21)14-7-6-13(23-14)15(19)18(2)9-10-4-5-12(22-3)11(16)8-10/h4-8,17H,9H2,1-3H3
InChIKeyCCGWEIKACSKJCA-UHFFFAOYSA-N
XLogP1.61
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]benzoate
CID 31917214
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78797061
N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethoxy-N-methylbenzamide
CID 18115808
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231403
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-oxobutanamide
CID 54867216
3-[(5-chloro-2-methoxyphenyl)methyl]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea
CID 87008091
5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 46437931
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60652530
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 33282899
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methoxy-N-methylbenzamide
CID 78796913
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-(methylsulfanylmethyl)benzamide
CID 86978090

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide (CID 39934885) is N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide is CNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(OC)c(F)c2)o1.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide?
The InChIKey is CCGWEIKACSKJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O5S/c1-17-24(20,21)14-7-6-13(23-14)15(19)18(2)9-10-4-5-12(22-3)11(16)8-10/h4-8,17H,9H2,1-3H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide is sourced from PubChem (CID 39934885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).