N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide

C23H27N5O4S — CID 24667508

IUPACN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
SMILESCc1ccc(-n2nc(C)c(NC(=O)CNC(=O)CNS(=O)(=O)c3ccc(C)cc3)c2C)cc1
InChIInChI=1S/C23H27N5O4S/c1-15-5-9-19(10-6-15)28-18(4)23(17(3)27-28)26-22(30)13-24-21(29)14-25-33(31,32)20-11-7-16(2)8-12-20/h5-12,25H,13-14H2,1-4H3,(H,24,29)(H,26,30)
InChIKeyPGMLMQUQSPCJIG-UHFFFAOYSA-N
MW469.57 g/mol
LogP2.14
Rot. Bonds8

About N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide

N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide (PubChem CID 24667508) has the molecular formula C23H27N5O4S and a molecular weight of 469.57 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
PubChem CID24667508
Molecular FormulaC23H27N5O4S
Molecular Weight469.57 g/mol
Exact Mass469.18
IUPAC NameN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
SMILESCc1ccc(-n2nc(C)c(NC(=O)CNC(=O)CNS(=O)(=O)c3ccc(C)cc3)c2C)cc1
InChIInChI=1S/C23H27N5O4S/c1-15-5-9-19(10-6-15)28-18(4)23(17(3)27-28)26-22(30)13-24-21(29)14-25-33(31,32)20-11-7-16(2)8-12-20/h5-12,25H,13-14H2,1-4H3,(H,24,29)(H,26,30)
InChIKeyPGMLMQUQSPCJIG-UHFFFAOYSA-N
XLogP2.14
TPSA122.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24667507
N-(3,4-dichlorophenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 34735877
N-(3,4-dimethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9039784
N-(4-tert-butylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9203847
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-fluorophenyl)acetamide
CID 38199854
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]benzenesulfonamide
CID 25342658
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 24672665
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-phenylphenyl)acetamide
CID 24659529
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 34134610
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-phenoxyacetamide
CID 42989450
2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 24537163
N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane
CID 161281270

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide?
The IUPAC name of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide (CID 24667508) is N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide.
What is the SMILES notation for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide?
The canonical SMILES for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide is Cc1ccc(-n2nc(C)c(NC(=O)CNC(=O)CNS(=O)(=O)c3ccc(C)cc3)c2C)cc1.
What is the InChIKey of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide?
The InChIKey is PGMLMQUQSPCJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4S/c1-15-5-9-19(10-6-15)28-18(4)23(17(3)27-28)26-22(30)13-24-21(29)14-25-33(31,32)20-11-7-16(2)8-12-20/h5-12,25H,13-14H2,1-4H3,(H,24,29)(H,26,30).
What are the key properties of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide?
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide has a molecular weight of 469.57 g/mol, XLogP of 2.14, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide is sourced from PubChem (CID 24667508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).