2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide

C17H26N4O3S — CID 3739032

IUPAC2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
SMILESCc1ccc(N(CC(=O)NN=C2CCN(C)CC2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C17H26N4O3S/c1-13-5-6-16(14(2)11-13)21(25(4,23)24)12-17(22)19-18-15-7-9-20(3)10-8-15/h5-6,11H,7-10,12H2,1-4H3,(H,19,22)
InChIKeyIPPIZWJOLFJJFC-UHFFFAOYSA-N
MW366.49 g/mol
LogP1.27
Rot. Bonds5

About 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide

2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide (PubChem CID 3739032) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
PubChem CID3739032
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC Name2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
SMILESCc1ccc(N(CC(=O)NN=C2CCN(C)CC2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C17H26N4O3S/c1-13-5-6-16(14(2)11-13)21(25(4,23)24)12-17(22)19-18-15-7-9-20(3)10-8-15/h5-6,11H,7-10,12H2,1-4H3,(H,19,22)
InChIKeyIPPIZWJOLFJJFC-UHFFFAOYSA-N
XLogP1.27
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-iodo-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
CID 5177317
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
CID 3442298
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
CID 1021048
N-butan-2-yl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 43891593
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
CID 2271321
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 30168671
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
CID 5145133
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 30168672
N-cycloheptyl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 1322609
N-(2,6-diethylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153846
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 1338023
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide
CID 998752

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide?
The IUPAC name of 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide (CID 3739032) is 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide is Cc1ccc(N(CC(=O)NN=C2CCN(C)CC2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide?
The InChIKey is IPPIZWJOLFJJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S/c1-13-5-6-16(14(2)11-13)21(25(4,23)24)12-17(22)19-18-15-7-9-20(3)10-8-15/h5-6,11H,7-10,12H2,1-4H3,(H,19,22).
What are the key properties of 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide?
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide has a molecular weight of 366.49 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide is sourced from PubChem (CID 3739032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).