N-(1-acetamidopyrazol-3-yl)-3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzamide

C25H23N5O5S — CID 77107473

IUPACN-(1-acetamidopyrazol-3-yl)-3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzamide
SMILESCC(=O)Nn1ccc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(-c3ncccc3C)c2)n1
InChIInChI=1S/C25H23N5O5S/c1-16-5-4-11-26-24(16)18-13-19(25(32)27-23-10-12-30(29-23)28-17(2)31)15-21(14-18)35-20-6-8-22(9-7-20)36(3,33)34/h4-15H,1-3H3,(H,28,31)(H,27,29,32)
InChIKeyYNDPNSOPFNOURF-UHFFFAOYSA-N
MW505.56 g/mol
LogP3.79
Rot. Bonds7

About N-(1-acetamidopyrazol-3-yl)-3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzamide

N-(1-acetamidopyrazol-3-yl)-3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzamide (PubChem CID 77107473) has the molecular formula C25H23N5O5S and a molecular weight of 505.56 g/mol. Its IUPAC name is N-(1-acetamidopyrazol-3-yl)-3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzamide.

Molecular Properties

Compound NameN-(1-acetamidopyrazol-3-yl)-3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzamide
PubChem CID77107473
Molecular FormulaC25H23N5O5S
Molecular Weight505.56 g/mol
Exact Mass505.14
IUPAC NameN-(1-acetamidopyrazol-3-yl)-3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzamide
SMILESCC(=O)Nn1ccc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(-c3ncccc3C)c2)n1
InChIInChI=1S/C25H23N5O5S/c1-16-5-4-11-26-24(16)18-13-19(25(32)27-23-10-12-30(29-23)28-17(2)31)15-21(14-18)35-20-6-8-22(9-7-20)36(3,33)34/h4-15H,1-3H3,(H,28,31)(H,27,29,32)
InChIKeyYNDPNSOPFNOURF-UHFFFAOYSA-N
XLogP3.79
TPSA132.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.56
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetamidopyrazol-3-yl)-3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzamide?
The IUPAC name of N-(1-acetamidopyrazol-3-yl)-3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzamide (CID 77107473) is N-(1-acetamidopyrazol-3-yl)-3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzamide.
What is the SMILES notation for N-(1-acetamidopyrazol-3-yl)-3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzamide?
The canonical SMILES for N-(1-acetamidopyrazol-3-yl)-3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzamide is CC(=O)Nn1ccc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(-c3ncccc3C)c2)n1.
What is the InChIKey of N-(1-acetamidopyrazol-3-yl)-3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzamide?
The InChIKey is YNDPNSOPFNOURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O5S/c1-16-5-4-11-26-24(16)18-13-19(25(32)27-23-10-12-30(29-23)28-17(2)31)15-21(14-18)35-20-6-8-22(9-7-20)36(3,33)34/h4-15H,1-3H3,(H,28,31)(H,27,29,32).
What are the key properties of N-(1-acetamidopyrazol-3-yl)-3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzamide?
N-(1-acetamidopyrazol-3-yl)-3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzamide has a molecular weight of 505.56 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetamidopyrazol-3-yl)-3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzamide is sourced from PubChem (CID 77107473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).