2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(pyridin-3-ylmethyl)acetamide

C23H25N3O4S — CID 1129967

IUPAC2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(pyridin-3-ylmethyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H25N3O4S/c1-3-30-21-10-12-22(13-11-21)31(28,29)26(20-8-6-18(2)7-9-20)17-23(27)25-16-19-5-4-14-24-15-19/h4-15H,3,16-17H2,1-2H3,(H,25,27)
InChIKeyUQHCISKHYXZMSP-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.30
Rot. Bonds9

About 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(pyridin-3-ylmethyl)acetamide

2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 1129967) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID1129967
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(pyridin-3-ylmethyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H25N3O4S/c1-3-30-21-10-12-22(13-11-21)31(28,29)26(20-8-6-18(2)7-9-20)17-23(27)25-16-19-5-4-14-24-15-19/h4-15H,3,16-17H2,1-2H3,(H,25,27)
InChIKeyUQHCISKHYXZMSP-UHFFFAOYSA-N
XLogP3.30
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(pyridin-3-ylmethyl)acetamide (CID 1129967) is 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(pyridin-3-ylmethyl)acetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is UQHCISKHYXZMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-3-30-21-10-12-22(13-11-21)31(28,29)26(20-8-6-18(2)7-9-20)17-23(27)25-16-19-5-4-14-24-15-19/h4-15H,3,16-17H2,1-2H3,(H,25,27).
What are the key properties of 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(pyridin-3-ylmethyl)acetamide?
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 439.54 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 1129967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).