N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methylbutanamide

C16H20N2O4S — CID 860465

IUPACN-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H20N2O4S/c1-12(2)10-16(19)18-13-5-7-15(8-6-13)23(20,21)17-11-14-4-3-9-22-14/h3-9,12,17H,10-11H2,1-2H3,(H,18,19)
InChIKeyLQCBPQRVUQRGKM-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.74
Rot. Bonds7

About N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methylbutanamide

N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methylbutanamide (PubChem CID 860465) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methylbutanamide
PubChem CID860465
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC NameN-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H20N2O4S/c1-12(2)10-16(19)18-13-5-7-15(8-6-13)23(20,21)17-11-14-4-3-9-22-14/h3-9,12,17H,10-11H2,1-2H3,(H,18,19)
InChIKeyLQCBPQRVUQRGKM-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methylbutanamide (CID 860465) is N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methylbutanamide?
The InChIKey is LQCBPQRVUQRGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-12(2)10-16(19)18-13-5-7-15(8-6-13)23(20,21)17-11-14-4-3-9-22-14/h3-9,12,17H,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methylbutanamide?
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methylbutanamide has a molecular weight of 336.41 g/mol, XLogP of 2.74, 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-ylmethylsulfamoyl)phenyl]-3-methylbutanamide is sourced from PubChem (CID 860465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).