2-[(4-amino-2,6-dimethylphenyl)sulfonyl-ethylamino]-N-methylacetamide

C13H21N3O3S — CID 79589101

IUPAC2-[(4-amino-2,6-dimethylphenyl)sulfonyl-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)S(=O)(=O)c1c(C)cc(N)cc1C
InChIInChI=1S/C13H21N3O3S/c1-5-16(8-12(17)15-4)20(18,19)13-9(2)6-11(14)7-10(13)3/h6-7H,5,8,14H2,1-4H3,(H,15,17)
InChIKeyLDQDEDFKLYVTCN-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.64
Rot. Bonds5

About 2-[(4-amino-2,6-dimethylphenyl)sulfonyl-ethylamino]-N-methylacetamide

2-[(4-amino-2,6-dimethylphenyl)sulfonyl-ethylamino]-N-methylacetamide (PubChem CID 79589101) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[(4-amino-2,6-dimethylphenyl)sulfonyl-ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-amino-2,6-dimethylphenyl)sulfonyl-ethylamino]-N-methylacetamide
PubChem CID79589101
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-[(4-amino-2,6-dimethylphenyl)sulfonyl-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)S(=O)(=O)c1c(C)cc(N)cc1C
InChIInChI=1S/C13H21N3O3S/c1-5-16(8-12(17)15-4)20(18,19)13-9(2)6-11(14)7-10(13)3/h6-7H,5,8,14H2,1-4H3,(H,15,17)
InChIKeyLDQDEDFKLYVTCN-UHFFFAOYSA-N
XLogP0.64
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-amino-2,6-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 79589010
4-amino-N-butyl-N-ethyl-2,6-dimethylbenzenesulfonamide
CID 79589441
2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]-N-methylacetamide
CID 54888765
2-[ethyl-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylacetamide
CID 47090018
4-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 43578473
2-[(4-amino-2-methylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374780
N-methyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 989293
2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-ethylamino]-N-methylacetamide
CID 54922809
4-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 81428228
N,N-diethyl-2,6-dimethyl-4-(methylamino)benzenesulfonamide
CID 107328499
2-[(4-amino-2,6-dibromophenyl)sulfonyl-ethylamino]acetamide
CID 103101045
2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114656

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2,6-dimethylphenyl)sulfonyl-ethylamino]-N-methylacetamide?
The IUPAC name of 2-[(4-amino-2,6-dimethylphenyl)sulfonyl-ethylamino]-N-methylacetamide (CID 79589101) is 2-[(4-amino-2,6-dimethylphenyl)sulfonyl-ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(4-amino-2,6-dimethylphenyl)sulfonyl-ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[(4-amino-2,6-dimethylphenyl)sulfonyl-ethylamino]-N-methylacetamide is CCN(CC(=O)NC)S(=O)(=O)c1c(C)cc(N)cc1C.
What is the InChIKey of 2-[(4-amino-2,6-dimethylphenyl)sulfonyl-ethylamino]-N-methylacetamide?
The InChIKey is LDQDEDFKLYVTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-5-16(8-12(17)15-4)20(18,19)13-9(2)6-11(14)7-10(13)3/h6-7H,5,8,14H2,1-4H3,(H,15,17).
What are the key properties of 2-[(4-amino-2,6-dimethylphenyl)sulfonyl-ethylamino]-N-methylacetamide?
2-[(4-amino-2,6-dimethylphenyl)sulfonyl-ethylamino]-N-methylacetamide has a molecular weight of 299.40 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2,6-dimethylphenyl)sulfonyl-ethylamino]-N-methylacetamide is sourced from PubChem (CID 79589101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).