2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-methylphenyl)acetamide

C21H24N4O3S — CID 20855721

IUPAC2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-methylphenyl)acetamide
SMILESCc1ccc(N(CC(=O)Nc2cccc(C)c2)S(=O)(=O)c2c(C)n[nH]c2C)cc1
InChIInChI=1S/C21H24N4O3S/c1-14-8-10-19(11-9-14)25(29(27,28)21-16(3)23-24-17(21)4)13-20(26)22-18-7-5-6-15(2)12-18/h5-12H,13H2,1-4H3,(H,22,26)(H,23,24)
InChIKeySGPAZTNDVSPCPR-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.48
Rot. Bonds6

About 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-methylphenyl)acetamide

2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-methylphenyl)acetamide (PubChem CID 20855721) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-methylphenyl)acetamide
PubChem CID20855721
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-methylphenyl)acetamide
SMILESCc1ccc(N(CC(=O)Nc2cccc(C)c2)S(=O)(=O)c2c(C)n[nH]c2C)cc1
InChIInChI=1S/C21H24N4O3S/c1-14-8-10-19(11-9-14)25(29(27,28)21-16(3)23-24-17(21)4)13-20(26)22-18-7-5-6-15(2)12-18/h5-12H,13H2,1-4H3,(H,22,26)(H,23,24)
InChIKeySGPAZTNDVSPCPR-UHFFFAOYSA-N
XLogP3.48
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-methylphenyl)acetamide (CID 20855721) is 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-methylphenyl)acetamide is Cc1ccc(N(CC(=O)Nc2cccc(C)c2)S(=O)(=O)c2c(C)n[nH]c2C)cc1.
What is the InChIKey of 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-methylphenyl)acetamide?
The InChIKey is SGPAZTNDVSPCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-14-8-10-19(11-9-14)25(29(27,28)21-16(3)23-24-17(21)4)13-20(26)22-18-7-5-6-15(2)12-18/h5-12H,13H2,1-4H3,(H,22,26)(H,23,24).
What are the key properties of 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-methylphenyl)acetamide?
2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-methylphenyl)acetamide has a molecular weight of 412.52 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 20855721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).