2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(2-hydroxy-4-methylphenyl)acetamide

C19H23N3O5S — CID 7979655

IUPAC2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(2-hydroxy-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)c(O)c1
InChIInChI=1S/C19H23N3O5S/c1-12-4-7-16(17(23)8-12)22-19(25)10-20-18(24)11-21-28(26,27)15-6-5-13(2)14(3)9-15/h4-9,21,23H,10-11H2,1-3H3,(H,20,24)(H,22,25)
InChIKeyDVBZPOKFLCXOSX-UHFFFAOYSA-N
MW405.48 g/mol
LogP1.35
Rot. Bonds7

About 2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(2-hydroxy-4-methylphenyl)acetamide

2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(2-hydroxy-4-methylphenyl)acetamide (PubChem CID 7979655) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(2-hydroxy-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(2-hydroxy-4-methylphenyl)acetamide
PubChem CID7979655
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(2-hydroxy-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)c(O)c1
InChIInChI=1S/C19H23N3O5S/c1-12-4-7-16(17(23)8-12)22-19(25)10-20-18(24)11-21-28(26,27)15-6-5-13(2)14(3)9-15/h4-9,21,23H,10-11H2,1-3H3,(H,20,24)(H,22,25)
InChIKeyDVBZPOKFLCXOSX-UHFFFAOYSA-N
XLogP1.35
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 112996402
2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-4-methylphenyl)acetamide
CID 9495477
N-(3,4-dimethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9039784
N-(2-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 43384594
N-(2,4-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 112996411
2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(3-fluorophenyl)acetamide
CID 9412305
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-4-methylphenyl)propanamide
CID 24540770
[3-[[2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]-2,2-dimethylpropyl]-dimethylazanium
CID 9084119
N-(2-hydroxy-4-methylphenyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 46652713
N-(2-hydroxy-4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 51166424
N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 24640543
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 9495603

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(2-hydroxy-4-methylphenyl)acetamide?
The IUPAC name of 2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(2-hydroxy-4-methylphenyl)acetamide (CID 7979655) is 2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(2-hydroxy-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(2-hydroxy-4-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(2-hydroxy-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CNC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)c(O)c1.
What is the InChIKey of 2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(2-hydroxy-4-methylphenyl)acetamide?
The InChIKey is DVBZPOKFLCXOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-12-4-7-16(17(23)8-12)22-19(25)10-20-18(24)11-21-28(26,27)15-6-5-13(2)14(3)9-15/h4-9,21,23H,10-11H2,1-3H3,(H,20,24)(H,22,25).
What are the key properties of 2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(2-hydroxy-4-methylphenyl)acetamide?
2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(2-hydroxy-4-methylphenyl)acetamide has a molecular weight of 405.48 g/mol, XLogP of 1.35, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(2-hydroxy-4-methylphenyl)acetamide is sourced from PubChem (CID 7979655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).