2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(5-methyl-2-pyridinyl)acetamide

C21H25N5O4S — CID 5309558

IUPAC2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(5-methyl-2-pyridinyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(C)cn2)S(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C21H25N5O4S/c1-14-6-11-19(22-12-14)23-20(27)13-26(17-7-9-18(30-5)10-8-17)31(28,29)21-15(2)24-25(4)16(21)3/h6-12H,13H2,1-5H3,(H,22,23,27)
InChIKeyWQHUVJRWODNBPH-UHFFFAOYSA-N
MW443.53 g/mol
LogP2.58
Rot. Bonds7

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

2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(5-methyl-2-pyridinyl)acetamide (PubChem CID 5309558) 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-(5-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(5-methyl-2-pyridinyl)acetamide
PubChem CID5309558
Molecular FormulaC21H25N5O4S
Molecular Weight443.53 g/mol
Exact Mass443.16
IUPAC Name2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(5-methyl-2-pyridinyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(C)cn2)S(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C21H25N5O4S/c1-14-6-11-19(22-12-14)23-20(27)13-26(17-7-9-18(30-5)10-8-17)31(28,29)21-15(2)24-25(4)16(21)3/h6-12H,13H2,1-5H3,(H,22,23,27)
InChIKeyWQHUVJRWODNBPH-UHFFFAOYSA-N
XLogP2.58
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(5-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(5-methyl-2-pyridinyl)acetamide (CID 5309558) is 2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(5-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(5-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(5-methyl-2-pyridinyl)acetamide is COc1ccc(N(CC(=O)Nc2ccc(C)cn2)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-(5-methyl-2-pyridinyl)acetamide?
The InChIKey is WQHUVJRWODNBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4S/c1-14-6-11-19(22-12-14)23-20(27)13-26(17-7-9-18(30-5)10-8-17)31(28,29)21-15(2)24-25(4)16(21)3/h6-12H,13H2,1-5H3,(H,22,23,27).
What are the key properties of 2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(5-methyl-2-pyridinyl)acetamide?
2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(5-methyl-2-pyridinyl)acetamide has a molecular weight of 443.53 g/mol, XLogP of 2.58, 7 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-(5-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 5309558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).