N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide

C26H26N4O6S2 — CID 2457166

IUPACN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(S(=O)(=O)Nc4onc(C)c4C)cc3)c2)cc1
InChIInChI=1S/C26H26N4O6S2/c1-16-5-8-21(9-6-16)29-38(34,35)23-12-7-17(2)24(15-23)25(31)27-20-10-13-22(14-11-20)37(32,33)30-26-18(3)19(4)28-36-26/h5-15,29-30H,1-4H3,(H,27,31)
InChIKeyAXPNAJOOKUXSOW-UHFFFAOYSA-N
MW554.65 g/mol
LogP4.76
Rot. Bonds8

About N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 2457166) has the molecular formula C26H26N4O6S2 and a molecular weight of 554.65 g/mol. Its IUPAC name is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID2457166
Molecular FormulaC26H26N4O6S2
Molecular Weight554.65 g/mol
Exact Mass554.13
IUPAC NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(S(=O)(=O)Nc4onc(C)c4C)cc3)c2)cc1
InChIInChI=1S/C26H26N4O6S2/c1-16-5-8-21(9-6-16)29-38(34,35)23-12-7-17(2)24(15-23)25(31)27-20-10-13-22(14-11-20)37(32,33)30-26-18(3)19(4)28-36-26/h5-15,29-30H,1-4H3,(H,27,31)
InChIKeyAXPNAJOOKUXSOW-UHFFFAOYSA-N
XLogP4.76
TPSA147.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.65
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide (CID 2457166) is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(S(=O)(=O)Nc4onc(C)c4C)cc3)c2)cc1.
What is the InChIKey of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is AXPNAJOOKUXSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O6S2/c1-16-5-8-21(9-6-16)29-38(34,35)23-12-7-17(2)24(15-23)25(31)27-20-10-13-22(14-11-20)37(32,33)30-26-18(3)19(4)28-36-26/h5-15,29-30H,1-4H3,(H,27,31).
What are the key properties of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide?
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 554.65 g/mol, XLogP of 4.76, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2457166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).