3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide

C22H22N2O3S2 — CID 30684354

IUPAC3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3cc(C)ccc3C)c2)c1
InChIInChI=1S/C22H22N2O3S2/c1-15-10-11-16(2)21(12-15)29(26,27)24-19-8-4-6-17(13-19)22(25)23-18-7-5-9-20(14-18)28-3/h4-14,24H,1-3H3,(H,23,25)
InChIKeyGBOXVHTYZNRKMQ-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.08
Rot. Bonds6

About 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide

3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide (PubChem CID 30684354) has the molecular formula C22H22N2O3S2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide
PubChem CID30684354
Molecular FormulaC22H22N2O3S2
Molecular Weight426.56 g/mol
Exact Mass426.11
IUPAC Name3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3cc(C)ccc3C)c2)c1
InChIInChI=1S/C22H22N2O3S2/c1-15-10-11-16(2)21(12-15)29(26,27)24-19-8-4-6-17(13-19)22(25)23-18-7-5-9-20(14-18)28-3/h4-14,24H,1-3H3,(H,23,25)
InChIKeyGBOXVHTYZNRKMQ-UHFFFAOYSA-N
XLogP5.08
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 126415688
4-methyl-N-(3-methylsulfanylphenyl)-3-(phenylsulfamoyl)benzamide
CID 1252501
N-(3-benzamidophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 55868933
4-methyl-3-[(3-methylsulfanylphenyl)sulfamoyl]benzoic acid
CID 25335355
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31265126
2,4-dimethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2089878
3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 9068240
N-[3-(4-tert-butylbenzoyl)phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 43885864
N-(2-amino-2-methylpropyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 119629709
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503479
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylbutyl)benzamide
CID 30686518
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)benzamide
CID 30694649

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide?
The IUPAC name of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide (CID 30684354) is 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide?
The canonical SMILES for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide is CSc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3cc(C)ccc3C)c2)c1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide?
The InChIKey is GBOXVHTYZNRKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S2/c1-15-10-11-16(2)21(12-15)29(26,27)24-19-8-4-6-17(13-19)22(25)23-18-7-5-9-20(14-18)28-3/h4-14,24H,1-3H3,(H,23,25).
What are the key properties of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide?
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide has a molecular weight of 426.56 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 30684354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).