N-[4-(furan-2-yl)butan-2-yl]-4-(methylsulfamoyl)benzamide

C16H20N2O4S — CID 18162608

IUPACN-[4-(furan-2-yl)butan-2-yl]-4-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NC(C)CCc2ccco2)cc1
InChIInChI=1S/C16H20N2O4S/c1-12(5-8-14-4-3-11-22-14)18-16(19)13-6-9-15(10-7-13)23(20,21)17-2/h3-4,6-7,9-12,17H,5,8H2,1-2H3,(H,18,19)
InChIKeyXCYQLQAOCSXOMR-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.94
Rot. Bonds7

About N-[4-(furan-2-yl)butan-2-yl]-4-(methylsulfamoyl)benzamide

N-[4-(furan-2-yl)butan-2-yl]-4-(methylsulfamoyl)benzamide (PubChem CID 18162608) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-4-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-4-(methylsulfamoyl)benzamide
PubChem CID18162608
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-4-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NC(C)CCc2ccco2)cc1
InChIInChI=1S/C16H20N2O4S/c1-12(5-8-14-4-3-11-22-14)18-16(19)13-6-9-15(10-7-13)23(20,21)17-2/h3-4,6-7,9-12,17H,5,8H2,1-2H3,(H,18,19)
InChIKeyXCYQLQAOCSXOMR-UHFFFAOYSA-N
XLogP1.94
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 102851452
4-cyano-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide
CID 9141737
N-[4-(furan-2-yl)butan-2-yl]-3-methylsulfonylbenzamide
CID 18162440
4-[(carbamoylamino)methyl]-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 47010072
N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide
CID 103956281
N-[4-(furan-2-yl)butan-2-yl]-3,5-dihydroxybenzamide
CID 104938782
N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-methyl-5-methylsulfonylbenzamide
CID 39948595
3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 18162420
4-[1-(furan-2-yl)propan-2-ylsulfamoyl]-N-methylbenzamide
CID 51078414
4-(2,5-dioxopyrrolidin-1-yl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]benzamide
CID 39948589
N-[4-(furan-2-yl)butan-2-yl]thiophene-3-carboxamide
CID 18194695
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 60574382

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-4-(methylsulfamoyl)benzamide?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-4-(methylsulfamoyl)benzamide (CID 18162608) is N-[4-(furan-2-yl)butan-2-yl]-4-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-4-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-4-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(C(=O)NC(C)CCc2ccco2)cc1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-4-(methylsulfamoyl)benzamide?
The InChIKey is XCYQLQAOCSXOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-12(5-8-14-4-3-11-22-14)18-16(19)13-6-9-15(10-7-13)23(20,21)17-2/h3-4,6-7,9-12,17H,5,8H2,1-2H3,(H,18,19).
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-4-(methylsulfamoyl)benzamide?
N-[4-(furan-2-yl)butan-2-yl]-4-(methylsulfamoyl)benzamide has a molecular weight of 336.41 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-4-(methylsulfamoyl)benzamide is sourced from PubChem (CID 18162608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).