2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-pyridin-2-ylacetamide

C22H27N5O3S — CID 5309479

IUPAC2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-pyridin-2-ylacetamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1ccccn1)c1ccc(C(C)C)cc1
InChIInChI=1S/C22H27N5O3S/c1-15(2)18-9-11-19(12-10-18)27(14-21(28)24-20-8-6-7-13-23-20)31(29,30)22-16(3)25-26(5)17(22)4/h6-13,15H,14H2,1-5H3,(H,23,24,28)
InChIKeyFFRYNKFCXCUBBF-UHFFFAOYSA-N
MW441.56 g/mol
LogP3.39
Rot. Bonds7

About 2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-pyridin-2-ylacetamide

2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-pyridin-2-ylacetamide (PubChem CID 5309479) has the molecular formula C22H27N5O3S and a molecular weight of 441.56 g/mol. Its IUPAC name is 2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-pyridin-2-ylacetamide
PubChem CID5309479
Molecular FormulaC22H27N5O3S
Molecular Weight441.56 g/mol
Exact Mass441.18
IUPAC Name2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-pyridin-2-ylacetamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1ccccn1)c1ccc(C(C)C)cc1
InChIInChI=1S/C22H27N5O3S/c1-15(2)18-9-11-19(12-10-18)27(14-21(28)24-20-8-6-7-13-23-20)31(29,30)22-16(3)25-26(5)17(22)4/h6-13,15H,14H2,1-5H3,(H,23,24,28)
InChIKeyFFRYNKFCXCUBBF-UHFFFAOYSA-N
XLogP3.39
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-pyridin-2-ylacetamide (CID 5309479) is 2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-pyridin-2-ylacetamide is Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1ccccn1)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-pyridin-2-ylacetamide?
The InChIKey is FFRYNKFCXCUBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3S/c1-15(2)18-9-11-19(12-10-18)27(14-21(28)24-20-8-6-7-13-23-20)31(29,30)22-16(3)25-26(5)17(22)4/h6-13,15H,14H2,1-5H3,(H,23,24,28).
What are the key properties of 2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-pyridin-2-ylacetamide?
2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-pyridin-2-ylacetamide has a molecular weight of 441.56 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-pyridin-2-ylacetamide is sourced from PubChem (CID 5309479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).