2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide

C21H25N5O4S — CID 5309373

IUPAC2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1ccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C21H25N5O4S/c1-15-21(16(2)25(3)24-15)31(28,29)26(18-7-9-19(30-4)10-8-18)14-20(27)23-13-17-6-5-11-22-12-17/h5-12H,13-14H2,1-4H3,(H,23,27)
InChIKeyQLAFIDPOBWHXIR-UHFFFAOYSA-N
MW443.53 g/mol
LogP1.95
Rot. Bonds8

About 2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide

2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 5309373) has the molecular formula C21H25N5O4S and a molecular weight of 443.53 g/mol. Its IUPAC name is 2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID5309373
Molecular FormulaC21H25N5O4S
Molecular Weight443.53 g/mol
Exact Mass443.16
IUPAC Name2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1ccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C21H25N5O4S/c1-15-21(16(2)25(3)24-15)31(28,29)26(18-7-9-19(30-4)10-8-18)14-20(27)23-13-17-6-5-11-22-12-17/h5-12H,13-14H2,1-4H3,(H,23,27)
InChIKeyQLAFIDPOBWHXIR-UHFFFAOYSA-N
XLogP1.95
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(4-methoxyphenyl)pyrazol-4-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide
CID 141484726
2-[(4-Methoxy-benzenesulfonyl)-methyl-amino]-N-pyridin-3-ylmethyl-acetamide
CID 651842
N~1~-cycloheptyl-N~2~-(4-methoxyphenyl)-N~2~-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]glycinamide
CID 3240173
N-[(2-Methoxyphenyl)methyl]-2-[N-(4-methylphenyl)1,3,5-trimethyl-1H-pyrazole-4-sulfonamido]acetamide
CID 3241385
N~1~-(3-methoxyphenyl)-N~2~-(4-methoxyphenyl)-N~2~-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]glycinamide
CID 3241905
N-(4-methoxyphenyl)-1,3,5-trimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-sulfonamide
CID 5307985
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 5308136
N-(2,5-dimethylphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 5308621
N-cyclooctyl-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 5309048
N-cyclohexyl-2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)acetamide
CID 5309700
N-benzyl-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 9551359
1-(4-methoxyphenyl)-5-N-phenyl-3-N-(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
CID 10938858

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide (CID 5309373) is 2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide is COc1ccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2c(C)nn(C)c2C)cc1.
What is the InChIKey of 2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is QLAFIDPOBWHXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4S/c1-15-21(16(2)25(3)24-15)31(28,29)26(18-7-9-19(30-4)10-8-18)14-20(27)23-13-17-6-5-11-22-12-17/h5-12H,13-14H2,1-4H3,(H,23,27).
What are the key properties of 2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide?
2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 443.53 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 5309373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).