N-[3-(butylsulfamoyl)phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide

C25H30N2O4S — CID 21047643

IUPACN-[3-(butylsulfamoyl)phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)c2ccc(Cc3c(C)cc(C)cc3C)o2)c1
InChIInChI=1S/C25H30N2O4S/c1-5-6-12-26-32(29,30)22-9-7-8-20(15-22)27-25(28)24-11-10-21(31-24)16-23-18(3)13-17(2)14-19(23)4/h7-11,13-15,26H,5-6,12,16H2,1-4H3,(H,27,28)
InChIKeyXCQHQGNHVLNWTK-UHFFFAOYSA-N
MW454.59 g/mol
LogP5.13
Rot. Bonds9

About N-[3-(butylsulfamoyl)phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide

N-[3-(butylsulfamoyl)phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide (PubChem CID 21047643) has the molecular formula C25H30N2O4S and a molecular weight of 454.59 g/mol. Its IUPAC name is N-[3-(butylsulfamoyl)phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(butylsulfamoyl)phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
PubChem CID21047643
Molecular FormulaC25H30N2O4S
Molecular Weight454.59 g/mol
Exact Mass454.19
IUPAC NameN-[3-(butylsulfamoyl)phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)c2ccc(Cc3c(C)cc(C)cc3C)o2)c1
InChIInChI=1S/C25H30N2O4S/c1-5-6-12-26-32(29,30)22-9-7-8-20(15-22)27-25(28)24-11-10-21(31-24)16-23-18(3)13-17(2)14-19(23)4/h7-11,13-15,26H,5-6,12,16H2,1-4H3,(H,27,28)
InChIKeyXCQHQGNHVLNWTK-UHFFFAOYSA-N
XLogP5.13
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.59
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-6-methylphenyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047427
N-[3-(butylsulfamoyl)phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 8510926
N-[3-(butylsulfamoyl)phenyl]-3-(ethylsulfonylamino)benzamide
CID 24672448
2-[[3-[(5-methylfuran-2-carbonyl)amino]phenyl]sulfonylamino]acetic acid
CID 138042642
N-[3-(butylsulfamoyl)phenyl]-2-diethoxyphosphorylacetamide
CID 3854038
N-[5-(hydroxymethyl)-2-methylphenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21048133
N-[3-(butylsulfamoyl)phenyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide
CID 24532840
N-(3-chloro-4-methylphenyl)-3-(pentylsulfamoyl)benzamide
CID 109065382
N-[3-(butylsulfamoyl)phenyl]isoquinoline-1-carboxamide
CID 47084317
5-bromo-N-[3-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 47175858
N-[3-(butylsulfamoyl)phenyl]-3-(3,4-difluorophenyl)propanamide
CID 46547078
N-(4-methyl-1,3-benzothiazol-2-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21048030

Frequently Asked Questions

What is the IUPAC name of N-[3-(butylsulfamoyl)phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[3-(butylsulfamoyl)phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide (CID 21047643) is N-[3-(butylsulfamoyl)phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(butylsulfamoyl)phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(butylsulfamoyl)phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide is CCCCNS(=O)(=O)c1cccc(NC(=O)c2ccc(Cc3c(C)cc(C)cc3C)o2)c1.
What is the InChIKey of N-[3-(butylsulfamoyl)phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide?
The InChIKey is XCQHQGNHVLNWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4S/c1-5-6-12-26-32(29,30)22-9-7-8-20(15-22)27-25(28)24-11-10-21(31-24)16-23-18(3)13-17(2)14-19(23)4/h7-11,13-15,26H,5-6,12,16H2,1-4H3,(H,27,28).
What are the key properties of N-[3-(butylsulfamoyl)phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide?
N-[3-(butylsulfamoyl)phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide has a molecular weight of 454.59 g/mol, XLogP of 5.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butylsulfamoyl)phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 21047643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).