N-(4-methylphenyl)sulfonyl-2-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]acetamide

C30H25N3O3S — CID 71453597

IUPACN-(4-methylphenyl)sulfonyl-2-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]acetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C30H25N3O3S/c1-22-12-18-28(19-13-22)37(35,36)32-29(34)20-26-21-33(27-10-6-3-7-11-27)31-30(26)25-16-14-24(15-17-25)23-8-4-2-5-9-23/h2-19,21H,20H2,1H3,(H,32,34)
InChIKeyNNBJXTXIMGNYSJ-UHFFFAOYSA-N
MW507.62 g/mol
LogP5.56
Rot. Bonds7

About N-(4-methylphenyl)sulfonyl-2-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]acetamide

N-(4-methylphenyl)sulfonyl-2-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]acetamide (PubChem CID 71453597) has the molecular formula C30H25N3O3S and a molecular weight of 507.62 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonyl-2-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonyl-2-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]acetamide
PubChem CID71453597
Molecular FormulaC30H25N3O3S
Molecular Weight507.62 g/mol
Exact Mass507.16
IUPAC NameN-(4-methylphenyl)sulfonyl-2-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]acetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C30H25N3O3S/c1-22-12-18-28(19-13-22)37(35,36)32-29(34)20-26-21-33(27-10-6-3-7-11-27)31-30(26)25-16-14-24(15-17-25)23-8-4-2-5-9-23/h2-19,21H,20H2,1H3,(H,32,34)
InChIKeyNNBJXTXIMGNYSJ-UHFFFAOYSA-N
XLogP5.56
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.62
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonyl-2-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]acetamide?
The IUPAC name of N-(4-methylphenyl)sulfonyl-2-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]acetamide (CID 71453597) is N-(4-methylphenyl)sulfonyl-2-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonyl-2-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]acetamide?
The canonical SMILES for N-(4-methylphenyl)sulfonyl-2-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]acetamide is Cc1ccc(S(=O)(=O)NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonyl-2-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]acetamide?
The InChIKey is NNBJXTXIMGNYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O3S/c1-22-12-18-28(19-13-22)37(35,36)32-29(34)20-26-21-33(27-10-6-3-7-11-27)31-30(26)25-16-14-24(15-17-25)23-8-4-2-5-9-23/h2-19,21H,20H2,1H3,(H,32,34).
What are the key properties of N-(4-methylphenyl)sulfonyl-2-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]acetamide?
N-(4-methylphenyl)sulfonyl-2-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]acetamide has a molecular weight of 507.62 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonyl-2-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 71453597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).