N-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide

C21H22N2O5S — CID 2354389

IUPACN-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C)ccc2NC(=O)c2cc(C)oc2C)cc1
InChIInChI=1S/C21H22N2O5S/c1-13-5-10-19(22-21(24)18-12-14(2)28-15(18)3)20(11-13)29(25,26)23-16-6-8-17(27-4)9-7-16/h5-12,23H,1-4H3,(H,22,24)
InChIKeyNTBUVESVAMWGTJ-UHFFFAOYSA-N
MW414.48 g/mol
LogP4.27
Rot. Bonds6

About N-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide

N-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 2354389) has the molecular formula C21H22N2O5S and a molecular weight of 414.48 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID2354389
Molecular FormulaC21H22N2O5S
Molecular Weight414.48 g/mol
Exact Mass414.12
IUPAC NameN-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C)ccc2NC(=O)c2cc(C)oc2C)cc1
InChIInChI=1S/C21H22N2O5S/c1-13-5-10-19(22-21(24)18-12-14(2)28-15(18)3)20(11-13)29(25,26)23-16-6-8-17(27-4)9-7-16/h5-12,23H,1-4H3,(H,22,24)
InChIKeyNTBUVESVAMWGTJ-UHFFFAOYSA-N
XLogP4.27
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-methyl-5-(morpholinosulfonyl)-3-furamide
CID 2810589
2-methyl-N-(4-phenylmethoxyphenyl)furan-3-carboxamide
CID 800833
2-methyl-N-(4-sulfamoylphenyl)furan-3-carboxamide
CID 896124
N-[4-(benzyloxy)phenyl]-2,5-dimethyl-3-furamide
CID 1247120
5-[(dimethylamino)sulfonyl]-2-methyl-N-phenyl-3-furamide
CID 2809675
2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-3-carboxamide
CID 1245284
2-methyl-N-phenyl-5-(1-pyrrolidinylsulfonyl)-3-furamide
CID 2810593
N-(4-fluorophenyl)-2-methyl-5-(1-pyrrolidinylsulfonyl)-3-furamide
CID 2810594
N-(4-methoxyphenyl)-2-methyl-5-(1-pyrrolidinylsulfonyl)-3-furamide
CID 2810591
2-methyl-N-[4-(methylsulfamoyl)phenyl]furan-3-carboxamide
CID 1246941
2,5-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide
CID 4880428
5-(benzenesulfonamido)-2-methyl-N-phenyl-1-benzofuran-3-carboxamide
CID 2337765

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide (CID 2354389) is N-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide is COc1ccc(NS(=O)(=O)c2cc(C)ccc2NC(=O)c2cc(C)oc2C)cc1.
What is the InChIKey of N-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is NTBUVESVAMWGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5S/c1-13-5-10-19(22-21(24)18-12-14(2)28-15(18)3)20(11-13)29(25,26)23-16-6-8-17(27-4)9-7-16/h5-12,23H,1-4H3,(H,22,24).
What are the key properties of N-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide?
N-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 414.48 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 2354389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).