5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]benzamide

C28H23N5O7S — CID 167784128

IUPAC5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]benzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)Nc1cccc(C(=O)Nc2cccc(-c3noc(=O)[nH]3)c2)c1
InChIInChI=1S/C28H23N5O7S/c1-17-10-11-23(41(37,38)29-16-22-9-4-12-39-22)15-24(17)27(35)31-21-8-3-6-19(14-21)26(34)30-20-7-2-5-18(13-20)25-32-28(36)40-33-25/h2-15,29H,16H2,1H3,(H,30,34)(H,31,35)(H,32,33,36)
InChIKeySXPQFXBUCSJMAB-UHFFFAOYSA-N
MW573.59 g/mol
LogP3.91
Rot. Bonds9

About 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]benzamide

5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]benzamide (PubChem CID 167784128) has the molecular formula C28H23N5O7S and a molecular weight of 573.59 g/mol. Its IUPAC name is 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]benzamide
PubChem CID167784128
Molecular FormulaC28H23N5O7S
Molecular Weight573.59 g/mol
Exact Mass573.13
IUPAC Name5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]benzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)Nc1cccc(C(=O)Nc2cccc(-c3noc(=O)[nH]3)c2)c1
InChIInChI=1S/C28H23N5O7S/c1-17-10-11-23(41(37,38)29-16-22-9-4-12-39-22)15-24(17)27(35)31-21-8-3-6-19(14-21)26(34)30-20-7-2-5-18(13-20)25-32-28(36)40-33-25/h2-15,29H,16H2,1H3,(H,30,34)(H,31,35)(H,32,33,36)
InChIKeySXPQFXBUCSJMAB-UHFFFAOYSA-N
XLogP3.91
TPSA176.40 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.59
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide
CID 46412122
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]benzamide
CID 30873494
N-(3,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 26696313
3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 43002494
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide
CID 37359806
N-(4-bromo-3-methylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 24639566
3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzamide
CID 17170937
N-(4-bromophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 2909226
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 30859891
4-(furan-2-ylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55617154
3-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid
CID 119237132
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911419

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]benzamide?
The IUPAC name of 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]benzamide (CID 167784128) is 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]benzamide?
The canonical SMILES for 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]benzamide is Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)Nc1cccc(C(=O)Nc2cccc(-c3noc(=O)[nH]3)c2)c1.
What is the InChIKey of 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]benzamide?
The InChIKey is SXPQFXBUCSJMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O7S/c1-17-10-11-23(41(37,38)29-16-22-9-4-12-39-22)15-24(17)27(35)31-21-8-3-6-19(14-21)26(34)30-20-7-2-5-18(13-20)25-32-28(36)40-33-25/h2-15,29H,16H2,1H3,(H,30,34)(H,31,35)(H,32,33,36).
What are the key properties of 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]benzamide?
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]benzamide has a molecular weight of 573.59 g/mol, XLogP of 3.91, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 167784128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).