2-[methyl-[(2-methylphenyl)methyl]amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide

C24H27N3O3S — CID 4876554

IUPAC2-[methyl-[(2-methylphenyl)methyl]amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
SMILESCc1ccccc1CN(C)CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C24H27N3O3S/c1-19-10-7-8-11-20(19)17-26(2)18-24(28)25-21-12-9-15-23(16-21)31(29,30)27(3)22-13-5-4-6-14-22/h4-16H,17-18H2,1-3H3,(H,25,28)
InChIKeyDCPHQBXEFQEJIJ-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.89
Rot. Bonds8

About 2-[methyl-[(2-methylphenyl)methyl]amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide

2-[methyl-[(2-methylphenyl)methyl]amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide (PubChem CID 4876554) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 2-[methyl-[(2-methylphenyl)methyl]amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[(2-methylphenyl)methyl]amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
PubChem CID4876554
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name2-[methyl-[(2-methylphenyl)methyl]amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
SMILESCc1ccccc1CN(C)CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C24H27N3O3S/c1-19-10-7-8-11-20(19)17-26(2)18-24(28)25-21-12-9-15-23(16-21)31(29,30)27(3)22-13-5-4-6-14-22/h4-16H,17-18H2,1-3H3,(H,25,28)
InChIKeyDCPHQBXEFQEJIJ-UHFFFAOYSA-N
XLogP3.89
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methylphenyl)methyl]amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-[methyl-[(2-methylphenyl)methyl]amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide (CID 4876554) is 2-[methyl-[(2-methylphenyl)methyl]amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-[methyl-[(2-methylphenyl)methyl]amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-[methyl-[(2-methylphenyl)methyl]amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide is Cc1ccccc1CN(C)CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1.
What is the InChIKey of 2-[methyl-[(2-methylphenyl)methyl]amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is DCPHQBXEFQEJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-19-10-7-8-11-20(19)17-26(2)18-24(28)25-21-12-9-15-23(16-21)31(29,30)27(3)22-13-5-4-6-14-22/h4-16H,17-18H2,1-3H3,(H,25,28).
What are the key properties of 2-[methyl-[(2-methylphenyl)methyl]amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
2-[methyl-[(2-methylphenyl)methyl]amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 437.57 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methylphenyl)methyl]amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4876554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).