N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-phenylsulfanylethoxy)benzamide

C28H26N2O4S2 — CID 46771083

IUPACN-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-phenylsulfanylethoxy)benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1
InChIInChI=1S/C28H26N2O4S2/c1-21-7-5-6-10-27(21)30-36(32,33)26-17-13-23(14-18-26)29-28(31)22-11-15-24(16-12-22)34-19-20-35-25-8-3-2-4-9-25/h2-18,30H,19-20H2,1H3,(H,29,31)
InChIKeyRAJXBLCNEWEOKP-UHFFFAOYSA-N
MW518.66 g/mol
LogP6.22
Rot. Bonds10

About N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-phenylsulfanylethoxy)benzamide

N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-phenylsulfanylethoxy)benzamide (PubChem CID 46771083) has the molecular formula C28H26N2O4S2 and a molecular weight of 518.66 g/mol. Its IUPAC name is N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-phenylsulfanylethoxy)benzamide.

Molecular Properties

Compound NameN-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-phenylsulfanylethoxy)benzamide
PubChem CID46771083
Molecular FormulaC28H26N2O4S2
Molecular Weight518.66 g/mol
Exact Mass518.13
IUPAC NameN-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-phenylsulfanylethoxy)benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1
InChIInChI=1S/C28H26N2O4S2/c1-21-7-5-6-10-27(21)30-36(32,33)26-17-13-23(14-18-26)29-28(31)22-11-15-24(16-12-22)34-19-20-35-25-8-3-2-4-9-25/h2-18,30H,19-20H2,1H3,(H,29,31)
InChIKeyRAJXBLCNEWEOKP-UHFFFAOYSA-N
XLogP6.22
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.66
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 43885433
N-(4-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 38003479
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595
N-(4-acetamidophenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28635830
4-[(2-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26643217
N-phenyl-4-(2-phenylsulfanylethoxy)benzamide
CID 46762944
N-(2,3-dimethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 53284080
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-butoxybenzamide
CID 55705690
N-(4-fluorophenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9416298
N-[4-(diethylamino)phenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 27229309
N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
N,N-diethyl-4-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 34542806

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-phenylsulfanylethoxy)benzamide?
The IUPAC name of N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-phenylsulfanylethoxy)benzamide (CID 46771083) is N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-phenylsulfanylethoxy)benzamide.
What is the SMILES notation for N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-phenylsulfanylethoxy)benzamide?
The canonical SMILES for N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-phenylsulfanylethoxy)benzamide is Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-phenylsulfanylethoxy)benzamide?
The InChIKey is RAJXBLCNEWEOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O4S2/c1-21-7-5-6-10-27(21)30-36(32,33)26-17-13-23(14-18-26)29-28(31)22-11-15-24(16-12-22)34-19-20-35-25-8-3-2-4-9-25/h2-18,30H,19-20H2,1H3,(H,29,31).
What are the key properties of N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-phenylsulfanylethoxy)benzamide?
N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-phenylsulfanylethoxy)benzamide has a molecular weight of 518.66 g/mol, XLogP of 6.22, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-phenylsulfanylethoxy)benzamide is sourced from PubChem (CID 46771083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).