2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide

C28H26N2O4S — CID 2262005

IUPAC2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C28H26N2O4S/c1-21-9-8-12-23(19-21)29-28(31)26-13-6-7-14-27(26)30(20-22-10-4-3-5-11-22)35(32,33)25-17-15-24(34-2)16-18-25/h3-19H,20H2,1-2H3,(H,29,31)
InChIKeyQNWSIJSWTITDNG-UHFFFAOYSA-N
MW486.59 g/mol
LogP5.65
Rot. Bonds8

About 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide

2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide (PubChem CID 2262005) has the molecular formula C28H26N2O4S and a molecular weight of 486.59 g/mol. Its IUPAC name is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide
PubChem CID2262005
Molecular FormulaC28H26N2O4S
Molecular Weight486.59 g/mol
Exact Mass486.16
IUPAC Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C28H26N2O4S/c1-21-9-8-12-23(19-21)29-28(31)26-13-6-7-14-27(26)30(20-22-10-4-3-5-11-22)35(32,33)25-17-15-24(34-2)16-18-25/h3-19H,20H2,1-2H3,(H,29,31)
InChIKeyQNWSIJSWTITDNG-UHFFFAOYSA-N
XLogP5.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.59
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 21372381
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 1284888
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)benzamide
CID 17312901
methyl 3-[[2-[benzyl-(4-methoxyphenyl)sulfonylamino]benzoyl]amino]-4-methylbenzoate
CID 43880657
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 982875
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
CID 99943824
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 43881457
2-[benzyl-(4-methoxyphenyl)sulfonylamino]benzoate
CID 6968685
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-propylbenzamide
CID 2194165
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(3-ethoxyphenyl)methyl]benzamide
CID 99940224
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
CID 43878959
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(1-phenylpropyl)benzamide
CID 43876399

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide?
The IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide (CID 2262005) is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide is COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide?
The InChIKey is QNWSIJSWTITDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O4S/c1-21-9-8-12-23(19-21)29-28(31)26-13-6-7-14-27(26)30(20-22-10-4-3-5-11-22)35(32,33)25-17-15-24(34-2)16-18-25/h3-19H,20H2,1-2H3,(H,29,31).
What are the key properties of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide?
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide has a molecular weight of 486.59 g/mol, XLogP of 5.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 2262005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).