2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide

Name: 2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₂₀N₂O₃S — CID 42026326

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide

SMILESCc1ccc(NCC(=O)Nc2ccc(S(C)(=O)=O)cc2)c(C)c1

InChIInChI=1S/C17H20N2O3S/c1-12-4-9-16(13(2)10-12)18-11-17(20)19-14-5-7-15(8-6-14)23(3,21)22/h4-10,18H,11H2,1-3H3,(H,19,20)

InChIKeyJVDGUYQVWNEJBE-UHFFFAOYSA-N

MW332.43 g/mol

LogP2.76

Rot. Bonds5

About 2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide

2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide (PubChem CID 42026326) has the molecular formula C₁₇H₂₀N₂O₃S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name	2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide
PubChem CID	42026326
Molecular Formula	C₁₇H₂₀N₂O₃S
Molecular Weight	332.43 g/mol
Exact Mass	332.12
IUPAC Name	2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide
SMILES	Cc1ccc(NCC(=O)Nc2ccc(S(C)(=O)=O)cc2)c(C)c1
InChI	InChI=1S/C17H20N2O3S/c1-12-4-9-16(13(2)10-12)18-11-17(20)19-14-5-7-15(8-6-14)23(3,21)22/h4-10,18H,11H2,1-3H3,(H,19,20)
InChIKey	JVDGUYQVWNEJBE-UHFFFAOYSA-N
XLogP	2.76
TPSA	75.27 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.43
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide?

The IUPAC name of 2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide (CID 42026326) is 2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide.

What is the SMILES notation for 2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide?

The canonical SMILES for 2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide is Cc1ccc(NCC(=O)Nc2ccc(S(C)(=O)=O)cc2)c(C)c1.

What is the InChIKey of 2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide?

The InChIKey is JVDGUYQVWNEJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12-4-9-16(13(2)10-12)18-11-17(20)19-14-5-7-15(8-6-14)23(3,21)22/h4-10,18H,11H2,1-3H3,(H,19,20).

What are the key properties of 2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide?

2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide has a molecular weight of 332.43 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 42026326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 42026326 — identifiers, structure, computed properties (public domain)

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