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

C22H23N3O5S2 — CID 122579134

IUPAC2-(2-methoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-methoxy-3-pyridinyl)acetamide
SMILESCOc1ccncc1NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C22H23N3O5S2/c1-29-20-12-13-23-14-18(20)24-22(26)15-25(19-6-4-5-7-21(19)30-2)32(27,28)17-10-8-16(31-3)9-11-17/h4-14H,15H2,1-3H3,(H,24,26)
InChIKeyJFJIWUUJEMDXOD-UHFFFAOYSA-N
MW473.58 g/mol
LogP3.65
Rot. Bonds9

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

2-(2-methoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-methoxy-3-pyridinyl)acetamide (PubChem CID 122579134) has the molecular formula C22H23N3O5S2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 2-(2-methoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-methoxy-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-methoxy-3-pyridinyl)acetamide
PubChem CID122579134
Molecular FormulaC22H23N3O5S2
Molecular Weight473.58 g/mol
Exact Mass473.11
IUPAC Name2-(2-methoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-methoxy-3-pyridinyl)acetamide
SMILESCOc1ccncc1NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C22H23N3O5S2/c1-29-20-12-13-23-14-18(20)24-22(26)15-25(19-6-4-5-7-21(19)30-2)32(27,28)17-10-8-16(31-3)9-11-17/h4-14H,15H2,1-3H3,(H,24,26)
InChIKeyJFJIWUUJEMDXOD-UHFFFAOYSA-N
XLogP3.65
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-methoxy-3-pyridinyl)acetamide?
The IUPAC name of 2-(2-methoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-methoxy-3-pyridinyl)acetamide (CID 122579134) is 2-(2-methoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-methoxy-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(2-methoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-methoxy-3-pyridinyl)acetamide?
The canonical SMILES for 2-(2-methoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-methoxy-3-pyridinyl)acetamide is COc1ccncc1NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(SC)cc1.
What is the InChIKey of 2-(2-methoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-methoxy-3-pyridinyl)acetamide?
The InChIKey is JFJIWUUJEMDXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S2/c1-29-20-12-13-23-14-18(20)24-22(26)15-25(19-6-4-5-7-21(19)30-2)32(27,28)17-10-8-16(31-3)9-11-17/h4-14H,15H2,1-3H3,(H,24,26).
What are the key properties of 2-(2-methoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-methoxy-3-pyridinyl)acetamide?
2-(2-methoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-methoxy-3-pyridinyl)acetamide has a molecular weight of 473.58 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-methoxy-3-pyridinyl)acetamide is sourced from PubChem (CID 122579134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).