2-[2-amino-5-(ethylsulfamoyl)anilino]-N-ethylacetamide

C12H20N4O3S — CID 82899334

IUPAC2-[2-amino-5-(ethylsulfamoyl)anilino]-N-ethylacetamide
SMILESCCNC(=O)CNc1cc(S(=O)(=O)NCC)ccc1N
InChIInChI=1S/C12H20N4O3S/c1-3-14-12(17)8-15-11-7-9(5-6-10(11)13)20(18,19)16-4-2/h5-7,15-16H,3-4,8,13H2,1-2H3,(H,14,17)
InChIKeyOOTGCKFLNGAFMH-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.12
Rot. Bonds7

About 2-[2-amino-5-(ethylsulfamoyl)anilino]-N-ethylacetamide

2-[2-amino-5-(ethylsulfamoyl)anilino]-N-ethylacetamide (PubChem CID 82899334) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[2-amino-5-(ethylsulfamoyl)anilino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-amino-5-(ethylsulfamoyl)anilino]-N-ethylacetamide
PubChem CID82899334
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name2-[2-amino-5-(ethylsulfamoyl)anilino]-N-ethylacetamide
SMILESCCNC(=O)CNc1cc(S(=O)(=O)NCC)ccc1N
InChIInChI=1S/C12H20N4O3S/c1-3-14-12(17)8-15-11-7-9(5-6-10(11)13)20(18,19)16-4-2/h5-7,15-16H,3-4,8,13H2,1-2H3,(H,14,17)
InChIKeyOOTGCKFLNGAFMH-UHFFFAOYSA-N
XLogP0.12
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-amino-5-(ethylsulfamoyl)anilino]-N-cyclopropylacetamide
CID 82899994
2-(2-amino-5-fluoroanilino)-N-ethylacetamide
CID 62377991
4-amino-3-(2,2-difluoroethylamino)-N-ethylbenzenesulfonamide
CID 82901311
4-amino-3-[2-(dimethylamino)propylamino]-N-ethylbenzenesulfonamide
CID 82900023
4-amino-N-ethyl-3-(3-methylpentan-3-ylamino)benzenesulfonamide
CID 106328090
4-amino-3-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide
CID 82898095
4-amino-N-ethyl-3-[(2-ethyl-4-hydroxybutyl)amino]benzenesulfonamide
CID 82902466
4-amino-3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-ethylbenzenesulfonamide
CID 107845638
2-(2-aminoanilino)-N-ethylacetamide
CID 43566808
4-amino-N-ethyl-3-hydroxybenzenesulfonamide
CID 82901390
4-amino-N-ethyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide
CID 82900359
2-amino-5-(ethylsulfamoyl)benzamide
CID 82478029

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(ethylsulfamoyl)anilino]-N-ethylacetamide?
The IUPAC name of 2-[2-amino-5-(ethylsulfamoyl)anilino]-N-ethylacetamide (CID 82899334) is 2-[2-amino-5-(ethylsulfamoyl)anilino]-N-ethylacetamide.
What is the SMILES notation for 2-[2-amino-5-(ethylsulfamoyl)anilino]-N-ethylacetamide?
The canonical SMILES for 2-[2-amino-5-(ethylsulfamoyl)anilino]-N-ethylacetamide is CCNC(=O)CNc1cc(S(=O)(=O)NCC)ccc1N.
What is the InChIKey of 2-[2-amino-5-(ethylsulfamoyl)anilino]-N-ethylacetamide?
The InChIKey is OOTGCKFLNGAFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-3-14-12(17)8-15-11-7-9(5-6-10(11)13)20(18,19)16-4-2/h5-7,15-16H,3-4,8,13H2,1-2H3,(H,14,17).
What are the key properties of 2-[2-amino-5-(ethylsulfamoyl)anilino]-N-ethylacetamide?
2-[2-amino-5-(ethylsulfamoyl)anilino]-N-ethylacetamide has a molecular weight of 300.38 g/mol, XLogP of 0.12, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(ethylsulfamoyl)anilino]-N-ethylacetamide is sourced from PubChem (CID 82899334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).