2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(pyridin-4-ylmethyl)acetamide

C18H23N3O4S — CID 6493165

IUPAC2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C18H23N3O4S/c1-3-21(14-18(22)20-13-15-9-11-19-12-10-15)26(23,24)17-7-5-16(6-8-17)25-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,20,22)
InChIKeyNQMKSZOXIDVGNP-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.81
Rot. Bonds9

About 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(pyridin-4-ylmethyl)acetamide

2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 6493165) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID6493165
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C18H23N3O4S/c1-3-21(14-18(22)20-13-15-9-11-19-12-10-15)26(23,24)17-7-5-16(6-8-17)25-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,20,22)
InChIKeyNQMKSZOXIDVGNP-UHFFFAOYSA-N
XLogP1.81
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(pyridin-4-ylmethyl)acetamide (CID 6493165) is 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(pyridin-4-ylmethyl)acetamide is CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2ccncc2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is NQMKSZOXIDVGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-3-21(14-18(22)20-13-15-9-11-19-12-10-15)26(23,24)17-7-5-16(6-8-17)25-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,20,22).
What are the key properties of 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(pyridin-4-ylmethyl)acetamide?
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 377.47 g/mol, XLogP of 1.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 6493165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).