N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide

C12H18N2O3S — CID 31391784

IUPACN-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C12H18N2O3S/c1-9-4-5-12(10(2)8-9)18(16,17)14-7-6-13-11(3)15/h4-5,8,14H,6-7H2,1-3H3,(H,13,15)
InChIKeyYYFLLHRFQTUGDM-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.72
Rot. Bonds5

About N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide

N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 31391784) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID31391784
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C12H18N2O3S/c1-9-4-5-12(10(2)8-9)18(16,17)14-7-6-13-11(3)15/h4-5,8,14H,6-7H2,1-3H3,(H,13,15)
InChIKeyYYFLLHRFQTUGDM-UHFFFAOYSA-N
XLogP0.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2-chloro-4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 32675868
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-oxopentanamide
CID 108574932
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108572101
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-methylbenzamide
CID 108574771
N-[2-[[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]sulfonylamino]ethyl]acetamide
CID 60844582
N-cyclopropyl-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113052189
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3-hydroxybenzamide
CID 108575024
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)propanamide
CID 78783386
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-thiophen-2-ylacetamide
CID 108573230
N-[2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 35304540
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-trimethoxybenzamide
CID 108570759
N-(2,4-dimethylphenyl)-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113057732

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide (CID 31391784) is N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide is CC(=O)NCCNS(=O)(=O)c1ccc(C)cc1C.
What is the InChIKey of N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is YYFLLHRFQTUGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9-4-5-12(10(2)8-9)18(16,17)14-7-6-13-11(3)15/h4-5,8,14H,6-7H2,1-3H3,(H,13,15).
What are the key properties of N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide?
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 270.35 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 31391784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).