N,N'-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pentanediamide

C25H26N6O8S2 — CID 5169609

IUPACN,N'-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pentanediamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)CCCC(=O)Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)cc2)no1
InChIInChI=1S/C25H26N6O8S2/c1-16-14-22(28-38-16)30-40(34,35)20-10-6-18(7-11-20)26-24(32)4-3-5-25(33)27-19-8-12-21(13-9-19)41(36,37)31-23-15-17(2)39-29-23/h6-15H,3-5H2,1-2H3,(H,26,32)(H,27,33)(H,28,30)(H,29,31)
InChIKeyOGBHOKPCTLWPJJ-UHFFFAOYSA-N
MW602.65 g/mol
LogP3.63
Rot. Bonds12

About N,N'-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pentanediamide

N,N'-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pentanediamide (PubChem CID 5169609) has the molecular formula C25H26N6O8S2 and a molecular weight of 602.65 g/mol. Its IUPAC name is N,N'-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pentanediamide.

Molecular Properties

Compound NameN,N'-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pentanediamide
PubChem CID5169609
Molecular FormulaC25H26N6O8S2
Molecular Weight602.65 g/mol
Exact Mass602.13
IUPAC NameN,N'-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pentanediamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)CCCC(=O)Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)cc2)no1
InChIInChI=1S/C25H26N6O8S2/c1-16-14-22(28-38-16)30-40(34,35)20-10-6-18(7-11-20)26-24(32)4-3-5-25(33)27-19-8-12-21(13-9-19)41(36,37)31-23-15-17(2)39-29-23/h6-15H,3-5H2,1-2H3,(H,26,32)(H,27,33)(H,28,30)(H,29,31)
InChIKeyOGBHOKPCTLWPJJ-UHFFFAOYSA-N
XLogP3.63
TPSA202.60 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.65
LogP ≤ 53.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze N,N'-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pentanediamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pentanediamide?
The IUPAC name of N,N'-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pentanediamide (CID 5169609) is N,N'-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pentanediamide.
What is the SMILES notation for N,N'-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pentanediamide?
The canonical SMILES for N,N'-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pentanediamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CCCC(=O)Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)cc2)no1.
What is the InChIKey of N,N'-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pentanediamide?
The InChIKey is OGBHOKPCTLWPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O8S2/c1-16-14-22(28-38-16)30-40(34,35)20-10-6-18(7-11-20)26-24(32)4-3-5-25(33)27-19-8-12-21(13-9-19)41(36,37)31-23-15-17(2)39-29-23/h6-15H,3-5H2,1-2H3,(H,26,32)(H,27,33)(H,28,30)(H,29,31).
What are the key properties of N,N'-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pentanediamide?
N,N'-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pentanediamide has a molecular weight of 602.65 g/mol, XLogP of 3.63, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pentanediamide is sourced from PubChem (CID 5169609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).