4-[1-(furan-2-yl)propan-2-ylsulfamoyl]-N-methylbenzamide

C15H18N2O4S — CID 51078414

IUPAC4-[1-(furan-2-yl)propan-2-ylsulfamoyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)NC(C)Cc2ccco2)cc1
InChIInChI=1S/C15H18N2O4S/c1-11(10-13-4-3-9-21-13)17-22(19,20)14-7-5-12(6-8-14)15(18)16-2/h3-9,11,17H,10H2,1-2H3,(H,16,18)
InChIKeyGRJMMOYXEXJJLE-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.55
Rot. Bonds6

About 4-[1-(furan-2-yl)propan-2-ylsulfamoyl]-N-methylbenzamide

4-[1-(furan-2-yl)propan-2-ylsulfamoyl]-N-methylbenzamide (PubChem CID 51078414) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is 4-[1-(furan-2-yl)propan-2-ylsulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[1-(furan-2-yl)propan-2-ylsulfamoyl]-N-methylbenzamide
PubChem CID51078414
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name4-[1-(furan-2-yl)propan-2-ylsulfamoyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)NC(C)Cc2ccco2)cc1
InChIInChI=1S/C15H18N2O4S/c1-11(10-13-4-3-9-21-13)17-22(19,20)14-7-5-12(6-8-14)15(18)16-2/h3-9,11,17H,10H2,1-2H3,(H,16,18)
InChIKeyGRJMMOYXEXJJLE-UHFFFAOYSA-N
XLogP1.55
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-2-yl)propan-2-yl]-4-(methylaminomethyl)benzenesulfonamide
CID 61470755
4-(2-chloroethyl)-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 60959654
N-[1-(furan-2-yl)propan-2-yl]-3-hydroxybenzenesulfonamide
CID 81258780
N-[4-(furan-2-yl)butan-2-yl]-4-(methylsulfamoyl)benzamide
CID 18162608
3-N-[(2R)-1-(furan-2-yl)propan-2-yl]benzene-1,3-disulfonamide
CID 97020376
N-methyl-4-[[(1R)-1-phenylethyl]sulfamoyl]benzamide
CID 27299317
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
2-chloro-N-[1-(furan-2-yl)propan-2-yl]pyridine-4-sulfonamide
CID 61051425
3-(aminomethyl)-4-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 63288766
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 27824397
N-[1-(furan-2-yl)propan-2-yl]-4-iodobenzamide
CID 47168762
3-[1-(furan-2-yl)propan-2-ylsulfamoyl]propanoic acid
CID 43708955

Frequently Asked Questions

What is the IUPAC name of 4-[1-(furan-2-yl)propan-2-ylsulfamoyl]-N-methylbenzamide?
The IUPAC name of 4-[1-(furan-2-yl)propan-2-ylsulfamoyl]-N-methylbenzamide (CID 51078414) is 4-[1-(furan-2-yl)propan-2-ylsulfamoyl]-N-methylbenzamide.
What is the SMILES notation for 4-[1-(furan-2-yl)propan-2-ylsulfamoyl]-N-methylbenzamide?
The canonical SMILES for 4-[1-(furan-2-yl)propan-2-ylsulfamoyl]-N-methylbenzamide is CNC(=O)c1ccc(S(=O)(=O)NC(C)Cc2ccco2)cc1.
What is the InChIKey of 4-[1-(furan-2-yl)propan-2-ylsulfamoyl]-N-methylbenzamide?
The InChIKey is GRJMMOYXEXJJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-11(10-13-4-3-9-21-13)17-22(19,20)14-7-5-12(6-8-14)15(18)16-2/h3-9,11,17H,10H2,1-2H3,(H,16,18).
What are the key properties of 4-[1-(furan-2-yl)propan-2-ylsulfamoyl]-N-methylbenzamide?
4-[1-(furan-2-yl)propan-2-ylsulfamoyl]-N-methylbenzamide has a molecular weight of 322.39 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(furan-2-yl)propan-2-ylsulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 51078414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).