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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Related Compounds

3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)-N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 77107873
ethyl 2-[2-[[3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 142720300
N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzamide
CID 90655314
3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)-N-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 142720288
N-[4-[[1,3-dioxolan-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzamide
CID 142720319
3-hydroxy-5-(4-methylsulfonylphenoxy)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]benzamide
CID 59448699
N-[1-(diethoxyphosphorylmethyl)-5-methylpyrazol-3-yl]-3-(2-methoxyethoxy)-5-(4-methylsulfonylphenoxy)benzamide
CID 87420234
3-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-(4-methylsulfonylphenoxy)benzoyl]amino]-5-methylpyrazole-1-carboxylic acid
CID 66921267
N-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylphenoxy)-5-propan-2-yloxybenzamide
CID 73350645
2-[3-[(1-methylpyrazol-3-yl)carbamoyl]-5-(4-methylsulfonyloxyphenoxy)phenoxy]propanoic acid
CID 174489068
2-(difluoromethyl)-N-(1-methylpyrazol-3-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide
CID 66756511
3-(4-ethylsulfonylphenoxy)-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-(1-propan-2-ylpyrazol-3-yl)benzamide
CID 11525987

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).