3-[(2,4-dimethylphenyl)methylamino]-5-(methylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide

C24H27N3O3S2 — CID 26140203

IUPAC3-[(2,4-dimethylphenyl)methylamino]-5-(methylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide
SMILESCNS(=O)(=O)c1cc(NCc2ccc(C)cc2C)cc(C(=O)Nc2cccc(SC)c2)c1
InChIInChI=1S/C24H27N3O3S2/c1-16-8-9-18(17(2)10-16)15-26-21-11-19(12-23(14-21)32(29,30)25-3)24(28)27-20-6-5-7-22(13-20)31-4/h5-14,25-26H,15H2,1-4H3,(H,27,28)
InChIKeyQIVVHJZPLSTSEC-UHFFFAOYSA-N
MW469.63 g/mol
LogP4.80
Rot. Bonds8

About 3-[(2,4-dimethylphenyl)methylamino]-5-(methylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide

3-[(2,4-dimethylphenyl)methylamino]-5-(methylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide (PubChem CID 26140203) has the molecular formula C24H27N3O3S2 and a molecular weight of 469.63 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)methylamino]-5-(methylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)methylamino]-5-(methylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide
PubChem CID26140203
Molecular FormulaC24H27N3O3S2
Molecular Weight469.63 g/mol
Exact Mass469.15
IUPAC Name3-[(2,4-dimethylphenyl)methylamino]-5-(methylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide
SMILESCNS(=O)(=O)c1cc(NCc2ccc(C)cc2C)cc(C(=O)Nc2cccc(SC)c2)c1
InChIInChI=1S/C24H27N3O3S2/c1-16-8-9-18(17(2)10-16)15-26-21-11-19(12-23(14-21)32(29,30)25-3)24(28)27-20-6-5-7-22(13-20)31-4/h5-14,25-26H,15H2,1-4H3,(H,27,28)
InChIKeyQIVVHJZPLSTSEC-UHFFFAOYSA-N
XLogP4.80
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide
CID 30684354
3-[(2,4-dimethylphenyl)methylamino]-5-(phenylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 26140138
4-methyl-N-(3-methylsulfanylphenyl)-3-(phenylsulfamoyl)benzamide
CID 1252501
3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 9068240
2-bromo-5-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 80959344
2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 51297733
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 126415688
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
2,4-dimethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2089878
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 1309384
2-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 836481
4-(methylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 62185090

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)methylamino]-5-(methylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide?
The IUPAC name of 3-[(2,4-dimethylphenyl)methylamino]-5-(methylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide (CID 26140203) is 3-[(2,4-dimethylphenyl)methylamino]-5-(methylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)methylamino]-5-(methylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide?
The canonical SMILES for 3-[(2,4-dimethylphenyl)methylamino]-5-(methylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide is CNS(=O)(=O)c1cc(NCc2ccc(C)cc2C)cc(C(=O)Nc2cccc(SC)c2)c1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)methylamino]-5-(methylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide?
The InChIKey is QIVVHJZPLSTSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S2/c1-16-8-9-18(17(2)10-16)15-26-21-11-19(12-23(14-21)32(29,30)25-3)24(28)27-20-6-5-7-22(13-20)31-4/h5-14,25-26H,15H2,1-4H3,(H,27,28).
What are the key properties of 3-[(2,4-dimethylphenyl)methylamino]-5-(methylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide?
3-[(2,4-dimethylphenyl)methylamino]-5-(methylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide has a molecular weight of 469.63 g/mol, XLogP of 4.80, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)methylamino]-5-(methylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 26140203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).