2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]-N-ethylacetamide

C12H19N3O3S — CID 43566783

IUPAC2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]-N-ethylacetamide
SMILESCCNC(=O)CNS(=O)(=O)c1c(C)ccc(N)c1C
InChIInChI=1S/C12H19N3O3S/c1-4-14-11(16)7-15-19(17,18)12-8(2)5-6-10(13)9(12)3/h5-6,15H,4,7,13H2,1-3H3,(H,14,16)
InChIKeyDAVBDYDYVRTHTR-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.30
Rot. Bonds5

About 2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]-N-ethylacetamide

2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]-N-ethylacetamide (PubChem CID 43566783) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]-N-ethylacetamide
PubChem CID43566783
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]-N-ethylacetamide
SMILESCCNC(=O)CNS(=O)(=O)c1c(C)ccc(N)c1C
InChIInChI=1S/C12H19N3O3S/c1-4-14-11(16)7-15-19(17,18)12-8(2)5-6-10(13)9(12)3/h5-6,15H,4,7,13H2,1-3H3,(H,14,16)
InChIKeyDAVBDYDYVRTHTR-UHFFFAOYSA-N
XLogP0.30
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2,6-dimethyl-N-octylbenzenesulfonamide
CID 115566101
tert-butyl N-[2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]ethyl]carbamate
CID 104932785
3-amino-N-[3-(methanesulfonamido)propyl]-2,6-dimethylbenzenesulfonamide
CID 106333253
2-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-ethylacetamide
CID 116791519
3-amino-N-(cyclopropylmethyl)-2,6-dimethylbenzenesulfonamide
CID 43257138
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylbenzenesulfonamide
CID 106165818
2-[(4-amino-2-methoxyphenyl)sulfonylamino]-N-ethylacetamide
CID 43566769
2-[(2-amino-6-methylphenyl)sulfonylamino]-N-methylacetamide
CID 43452561
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide
CID 106006828
3-amino-2,6-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758445
N-ethyl-2-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 51102093
3-amino-N-(3,5-dimethylphenyl)-2,6-dimethylbenzenesulfonamide
CID 43257720

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]-N-ethylacetamide?
The IUPAC name of 2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]-N-ethylacetamide (CID 43566783) is 2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]-N-ethylacetamide is CCNC(=O)CNS(=O)(=O)c1c(C)ccc(N)c1C.
What is the InChIKey of 2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]-N-ethylacetamide?
The InChIKey is DAVBDYDYVRTHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-4-14-11(16)7-15-19(17,18)12-8(2)5-6-10(13)9(12)3/h5-6,15H,4,7,13H2,1-3H3,(H,14,16).
What are the key properties of 2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]-N-ethylacetamide?
2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]-N-ethylacetamide has a molecular weight of 285.37 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]-N-ethylacetamide is sourced from PubChem (CID 43566783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).