2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide

C24H27N3O5S — CID 127049806

IUPAC2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1cccnc1OC(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H27N3O5S/c1-17(2)32-24-20(8-7-15-25-24)26-23(28)16-27(21-9-5-6-10-22(21)31-4)33(29,30)19-13-11-18(3)12-14-19/h5-15,17H,16H2,1-4H3,(H,26,28)
InChIKeyHIELIROHCDRBAK-UHFFFAOYSA-N
MW469.56 g/mol
LogP4.02
Rot. Bonds9

About 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide

2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide (PubChem CID 127049806) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide
PubChem CID127049806
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC Name2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1cccnc1OC(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H27N3O5S/c1-17(2)32-24-20(8-7-15-25-24)26-23(28)16-27(21-9-5-6-10-22(21)31-4)33(29,30)19-13-11-18(3)12-14-19/h5-15,17H,16H2,1-4H3,(H,26,28)
InChIKeyHIELIROHCDRBAK-UHFFFAOYSA-N
XLogP4.02
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide?
The IUPAC name of 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide (CID 127049806) is 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide?
The canonical SMILES for 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide is COc1ccccc1N(CC(=O)Nc1cccnc1OC(C)C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide?
The InChIKey is HIELIROHCDRBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5S/c1-17(2)32-24-20(8-7-15-25-24)26-23(28)16-27(21-9-5-6-10-22(21)31-4)33(29,30)19-13-11-18(3)12-14-19/h5-15,17H,16H2,1-4H3,(H,26,28).
What are the key properties of 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide?
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide has a molecular weight of 469.56 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide is sourced from PubChem (CID 127049806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).