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

C23H21N3O5S — CID 30873494

IUPAC5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]benzamide
SMILESCc1nc(-c2ccc(NC(=O)c3cc(S(=O)(=O)NCc4ccco4)ccc3C)cc2)co1
InChIInChI=1S/C23H21N3O5S/c1-15-5-10-20(32(28,29)24-13-19-4-3-11-30-19)12-21(15)23(27)26-18-8-6-17(7-9-18)22-14-31-16(2)25-22/h3-12,14,24H,13H2,1-2H3,(H,26,27)
InChIKeySREPFGWSBDAEDV-UHFFFAOYSA-N
MW451.50 g/mol
LogP4.28
Rot. Bonds7

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

5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]benzamide (PubChem CID 30873494) has the molecular formula C23H21N3O5S and a molecular weight of 451.50 g/mol. Its IUPAC name is 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]benzamide
PubChem CID30873494
Molecular FormulaC23H21N3O5S
Molecular Weight451.50 g/mol
Exact Mass451.12
IUPAC Name5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]benzamide
SMILESCc1nc(-c2ccc(NC(=O)c3cc(S(=O)(=O)NCc4ccco4)ccc3C)cc2)co1
InChIInChI=1S/C23H21N3O5S/c1-15-5-10-20(32(28,29)24-13-19-4-3-11-30-19)12-21(15)23(27)26-18-8-6-17(7-9-18)22-14-31-16(2)25-22/h3-12,14,24H,13H2,1-2H3,(H,26,27)
InChIKeySREPFGWSBDAEDV-UHFFFAOYSA-N
XLogP4.28
TPSA114.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide
CID 46412122
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 30859891
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 2422470
2-chloro-N-(4-chlorophenyl)-5-(furan-2-ylmethylsulfamoyl)benzamide
CID 25036124
3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 43002494
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]benzamide
CID 167784128
3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzamide
CID 17170937
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 17430765
5-(ethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167610
N-(3,4-difluorophenyl)-2-fluoro-5-(furan-2-ylmethylsulfamoyl)benzamide
CID 4115156
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 43015178
3-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid
CID 119237132

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]benzamide?
The IUPAC name of 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]benzamide (CID 30873494) is 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]benzamide?
The canonical SMILES for 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]benzamide is Cc1nc(-c2ccc(NC(=O)c3cc(S(=O)(=O)NCc4ccco4)ccc3C)cc2)co1.
What is the InChIKey of 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]benzamide?
The InChIKey is SREPFGWSBDAEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5S/c1-15-5-10-20(32(28,29)24-13-19-4-3-11-30-19)12-21(15)23(27)26-18-8-6-17(7-9-18)22-14-31-16(2)25-22/h3-12,14,24H,13H2,1-2H3,(H,26,27).
What are the key properties of 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]benzamide?
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]benzamide has a molecular weight of 451.50 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 30873494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).