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

C26H24ClN3O5S — CID 4553173

IUPACN-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCc1ccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C26H24ClN3O5S/c1-16-11-12-20(14-25(16)36(32,33)30-24-10-5-4-9-23(24)27)28-26(31)19-7-6-8-21(13-19)34-15-22-17(2)29-35-18(22)3/h4-14,30H,15H2,1-3H3,(H,28,31)
InChIKeyXKXCLXWOZAVRCZ-UHFFFAOYSA-N
MW526.01 g/mol
LogP5.89
Rot. Bonds8

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

N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (PubChem CID 4553173) has the molecular formula C26H24ClN3O5S and a molecular weight of 526.01 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
PubChem CID4553173
Molecular FormulaC26H24ClN3O5S
Molecular Weight526.01 g/mol
Exact Mass525.11
IUPAC NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCc1ccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C26H24ClN3O5S/c1-16-11-12-20(14-25(16)36(32,33)30-24-10-5-4-9-23(24)27)28-26(31)19-7-6-8-21(13-19)34-15-22-17(2)29-35-18(22)3/h4-14,30H,15H2,1-3H3,(H,28,31)
InChIKeyXKXCLXWOZAVRCZ-UHFFFAOYSA-N
XLogP5.89
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.01
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide with MolForge

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Related Compounds

methyl 2-chloro-5-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzoate
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2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-propylbenzamide
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3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (CID 4553173) is N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is Cc1ccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1S(=O)(=O)Nc1ccccc1Cl.
What is the InChIKey of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The InChIKey is XKXCLXWOZAVRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O5S/c1-16-11-12-20(14-25(16)36(32,33)30-24-10-5-4-9-23(24)27)28-26(31)19-7-6-8-21(13-19)34-15-22-17(2)29-35-18(22)3/h4-14,30H,15H2,1-3H3,(H,28,31).
What are the key properties of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide has a molecular weight of 526.01 g/mol, XLogP of 5.89, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 4553173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).