4-[methyl(phenyl)sulfamoyl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide

C23H21N3O4S2 — CID 16571988

IUPAC4-[methyl(phenyl)sulfamoyl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide
SMILESCc1nc(-c2ccc(CNC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)o2)cs1
InChIInChI=1S/C23H21N3O4S2/c1-16-25-21(15-31-16)22-13-10-19(30-22)14-24-23(27)17-8-11-20(12-9-17)32(28,29)26(2)18-6-4-3-5-7-18/h3-13,15H,14H2,1-2H3,(H,24,27)
InChIKeyLYBRCYCKBOPVET-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.47
Rot. Bonds7

About 4-[methyl(phenyl)sulfamoyl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide

4-[methyl(phenyl)sulfamoyl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide (PubChem CID 16571988) has the molecular formula C23H21N3O4S2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 4-[methyl(phenyl)sulfamoyl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[methyl(phenyl)sulfamoyl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide
PubChem CID16571988
Molecular FormulaC23H21N3O4S2
Molecular Weight467.57 g/mol
Exact Mass467.10
IUPAC Name4-[methyl(phenyl)sulfamoyl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide
SMILESCc1nc(-c2ccc(CNC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)o2)cs1
InChIInChI=1S/C23H21N3O4S2/c1-16-25-21(15-31-16)22-13-10-19(30-22)14-24-23(27)17-8-11-20(12-9-17)32(28,29)26(2)18-6-4-3-5-7-18/h3-13,15H,14H2,1-2H3,(H,24,27)
InChIKeyLYBRCYCKBOPVET-UHFFFAOYSA-N
XLogP4.47
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(phenyl)sulfamoyl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide?
The IUPAC name of 4-[methyl(phenyl)sulfamoyl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide (CID 16571988) is 4-[methyl(phenyl)sulfamoyl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-[methyl(phenyl)sulfamoyl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide?
The canonical SMILES for 4-[methyl(phenyl)sulfamoyl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide is Cc1nc(-c2ccc(CNC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)o2)cs1.
What is the InChIKey of 4-[methyl(phenyl)sulfamoyl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide?
The InChIKey is LYBRCYCKBOPVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S2/c1-16-25-21(15-31-16)22-13-10-19(30-22)14-24-23(27)17-8-11-20(12-9-17)32(28,29)26(2)18-6-4-3-5-7-18/h3-13,15H,14H2,1-2H3,(H,24,27).
What are the key properties of 4-[methyl(phenyl)sulfamoyl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide?
4-[methyl(phenyl)sulfamoyl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide has a molecular weight of 467.57 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(phenyl)sulfamoyl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide is sourced from PubChem (CID 16571988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).