N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide

C29H28N2O3S2 — CID 126415995

IUPACN-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
SMILESCc1ccc(SCc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3)cc2)cc1
InChIInChI=1S/C29H28N2O3S2/c1-20-7-15-26(16-8-20)35-19-23-9-11-24(12-10-23)29(32)30-25-13-17-27(18-14-25)36(33,34)31-28-21(2)5-4-6-22(28)3/h4-18,31H,19H2,1-3H3,(H,30,32)
InChIKeyYORVFJJGZPDWDL-UHFFFAOYSA-N
MW516.69 g/mol
LogP6.96
Rot. Bonds8

About N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide

N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide (PubChem CID 126415995) has the molecular formula C29H28N2O3S2 and a molecular weight of 516.69 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
PubChem CID126415995
Molecular FormulaC29H28N2O3S2
Molecular Weight516.69 g/mol
Exact Mass516.15
IUPAC NameN-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
SMILESCc1ccc(SCc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3)cc2)cc1
InChIInChI=1S/C29H28N2O3S2/c1-20-7-15-26(16-8-20)35-19-23-9-11-24(12-10-23)29(32)30-25-13-17-27(18-14-25)36(33,34)31-28-21(2)5-4-6-22(28)3/h4-18,31H,19H2,1-3H3,(H,30,32)
InChIKeyYORVFJJGZPDWDL-UHFFFAOYSA-N
XLogP6.96
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.69
LogP ≤ 56.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 126414840
4-[(4-methylphenyl)sulfanylmethyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 28635441
4-[(4-methylphenyl)sulfanylmethyl]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 3918197
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-ethylbenzamide
CID 55865615
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 28567614
N-(2,6-dimethylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 109061714
4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 2725735
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylsulfanylbenzamide
CID 78791501
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-fluorobenzamide
CID 55865230
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 43886199
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 92671720

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide?
The IUPAC name of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide (CID 126415995) is N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide.
What is the SMILES notation for N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide?
The canonical SMILES for N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide is Cc1ccc(SCc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3)cc2)cc1.
What is the InChIKey of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide?
The InChIKey is YORVFJJGZPDWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O3S2/c1-20-7-15-26(16-8-20)35-19-23-9-11-24(12-10-23)29(32)30-25-13-17-27(18-14-25)36(33,34)31-28-21(2)5-4-6-22(28)3/h4-18,31H,19H2,1-3H3,(H,30,32).
What are the key properties of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide?
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide has a molecular weight of 516.69 g/mol, XLogP of 6.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide is sourced from PubChem (CID 126415995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).