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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Related Compounds

N-Ethyl-2-[(6-methoxy-3-pyridinyl)[(2-methylphenyl)sulfonyl]amino]-N-(3-pyridinylmethyl)acetamide
CID 9981404
Cgs-27023
CID 446504
N-((4-Methoxyphenyl)sulfonyl)-N-(2-((1E)-2-(1-oxido-4-pyridinyl)ethenyl)phenyl)acetamide
CID 9888590
Butanamide, N-hydroxy-2-(((4-methoxyphenyl)sulfonyl)(3-pyridinylmethyl)amino)-3-methyl-, hydrochloride (1:1), (2R)-
CID 9888897
(2R)-N-Hydroxy-2-[[(4-methoxyphenyl)sulfonyl](3-pyridinylmethyl)amino]-4,4-dimethylpentanamide
CID 10526209
(2R)-6-(dimethylamino)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylmethyl)sulfonamido]hexanamide
CID 10527557
Acetamide, N-hydroxy-2-[[(4-methoxyphenyl)sulfonyl](3-pyridinylmethyl)amino]-
CID 10545870
(2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylmethyl)sulfonamido]-4-methylpentanamide
CID 10645086
N-Hydroxy-N~2~-[(4-Methoxyphenyl)sulfonyl]-N~2~-(Pyridin-4-Ylmethyl)glycinamide
CID 10831751
[3H]Empa
CID 42604859
Hexahydro quinoline derivative 1
CID 121325265
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pent-4-enamide
CID 71465421

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).