2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide

C14H23N3O3S — CID 61114656

IUPAC2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)S(=O)(=O)c1cc(C)c(C)c(N)c1
InChIInChI=1S/C14H23N3O3S/c1-5-16-14(18)9-17(6-2)21(19,20)12-7-10(3)11(4)13(15)8-12/h7-8H,5-6,9,15H2,1-4H3,(H,16,18)
InChIKeyHNBNHCVZQHJAID-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.03
Rot. Bonds6

About 2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide

2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide (PubChem CID 61114656) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide
PubChem CID61114656
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)S(=O)(=O)c1cc(C)c(C)c(N)c1
InChIInChI=1S/C14H23N3O3S/c1-5-16-14(18)9-17(6-2)21(19,20)12-7-10(3)11(4)13(15)8-12/h7-8H,5-6,9,15H2,1-4H3,(H,16,18)
InChIKeyHNBNHCVZQHJAID-UHFFFAOYSA-N
XLogP1.03
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.03
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-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 43587581
3-amino-N-ethyl-4,5-dimethyl-N-propylbenzenesulfonamide
CID 43268301
2-[(3-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114463
3-amino-4,5-dimethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587373
2-[(2-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114465
ethyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoate
CID 24678382
2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 8800483
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 4593539
2-[(3-amino-4-fluoro-5-methylphenyl)sulfonyl-ethylamino]acetamide
CID 103101040
2-[(3-amino-4-methylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide
CID 61127922
N-ethyl-2-[ethyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 39633113
2-[(5-amino-2-ethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114283

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide (CID 61114656) is 2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)S(=O)(=O)c1cc(C)c(C)c(N)c1.
What is the InChIKey of 2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide?
The InChIKey is HNBNHCVZQHJAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-5-16-14(18)9-17(6-2)21(19,20)12-7-10(3)11(4)13(15)8-12/h7-8H,5-6,9,15H2,1-4H3,(H,16,18).
What are the key properties of 2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide?
2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide has a molecular weight of 313.42 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 61114656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).