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

C22H23N3O5S — CID 127052537

IUPAC2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxy-2-pyridinyl)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1ncccc1OC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H23N3O5S/c1-16-10-12-17(13-11-16)31(27,28)25(18-7-4-5-8-19(18)29-2)15-21(26)24-22-20(30-3)9-6-14-23-22/h4-14H,15H2,1-3H3,(H,23,24,26)
InChIKeyIPCHDJBFHIAKMX-UHFFFAOYSA-N
MW441.51 g/mol
LogP3.24
Rot. Bonds8

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

2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxy-2-pyridinyl)acetamide (PubChem CID 127052537) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxy-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxy-2-pyridinyl)acetamide
PubChem CID127052537
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC Name2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxy-2-pyridinyl)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1ncccc1OC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H23N3O5S/c1-16-10-12-17(13-11-16)31(27,28)25(18-7-4-5-8-19(18)29-2)15-21(26)24-22-20(30-3)9-6-14-23-22/h4-14H,15H2,1-3H3,(H,23,24,26)
InChIKeyIPCHDJBFHIAKMX-UHFFFAOYSA-N
XLogP3.24
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.24
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-(3-methoxy-2-pyridinyl)acetamide?
The IUPAC name of 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxy-2-pyridinyl)acetamide (CID 127052537) is 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxy-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxy-2-pyridinyl)acetamide?
The canonical SMILES for 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxy-2-pyridinyl)acetamide is COc1ccccc1N(CC(=O)Nc1ncccc1OC)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxy-2-pyridinyl)acetamide?
The InChIKey is IPCHDJBFHIAKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-16-10-12-17(13-11-16)31(27,28)25(18-7-4-5-8-19(18)29-2)15-21(26)24-22-20(30-3)9-6-14-23-22/h4-14H,15H2,1-3H3,(H,23,24,26).
What are the key properties of 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxy-2-pyridinyl)acetamide?
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxy-2-pyridinyl)acetamide has a molecular weight of 441.51 g/mol, XLogP of 3.24, 8 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-(3-methoxy-2-pyridinyl)acetamide is sourced from PubChem (CID 127052537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).