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

C24H24N6O8S2 — CID 3654587

IUPACN,N'-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanediamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)cc2)no1
InChIInChI=1S/C24H24N6O8S2/c1-15-13-21(27-37-15)29-39(33,34)19-7-3-17(4-8-19)25-23(31)11-12-24(32)26-18-5-9-20(10-6-18)40(35,36)30-22-14-16(2)38-28-22/h3-10,13-14H,11-12H2,1-2H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)
InChIKeyXTKJRQDVXTWXKH-UHFFFAOYSA-N
MW588.62 g/mol
LogP3.24
Rot. Bonds11

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

N,N'-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanediamide (PubChem CID 3654587) has the molecular formula C24H24N6O8S2 and a molecular weight of 588.62 g/mol. Its IUPAC name is N,N'-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanediamide.

Molecular Properties

Compound NameN,N'-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanediamide
PubChem CID3654587
Molecular FormulaC24H24N6O8S2
Molecular Weight588.62 g/mol
Exact Mass588.11
IUPAC NameN,N'-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanediamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)cc2)no1
InChIInChI=1S/C24H24N6O8S2/c1-15-13-21(27-37-15)29-39(33,34)19-7-3-17(4-8-19)25-23(31)11-12-24(32)26-18-5-9-20(10-6-18)40(35,36)30-22-14-16(2)38-28-22/h3-10,13-14H,11-12H2,1-2H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)
InChIKeyXTKJRQDVXTWXKH-UHFFFAOYSA-N
XLogP3.24
TPSA202.60 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.62
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanediamide?
The IUPAC name of N,N'-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanediamide (CID 3654587) is N,N'-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanediamide.
What is the SMILES notation for N,N'-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanediamide?
The canonical SMILES for N,N'-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanediamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CCC(=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]butanediamide?
The InChIKey is XTKJRQDVXTWXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O8S2/c1-15-13-21(27-37-15)29-39(33,34)19-7-3-17(4-8-19)25-23(31)11-12-24(32)26-18-5-9-20(10-6-18)40(35,36)30-22-14-16(2)38-28-22/h3-10,13-14H,11-12H2,1-2H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30).
What are the key properties of N,N'-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanediamide?
N,N'-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanediamide has a molecular weight of 588.62 g/mol, XLogP of 3.24, 11 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]butanediamide is sourced from PubChem (CID 3654587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).