2-(2-amino-4-methylsulfonyl-N-propan-2-ylanilino)acetamide

C12H19N3O3S — CID 54989457

IUPAC2-(2-amino-4-methylsulfonyl-N-propan-2-ylanilino)acetamide
SMILESCC(C)N(CC(N)=O)c1ccc(S(C)(=O)=O)cc1N
InChIInChI=1S/C12H19N3O3S/c1-8(2)15(7-12(14)16)11-5-4-9(6-10(11)13)19(3,17)18/h4-6,8H,7,13H2,1-3H3,(H2,14,16)
InChIKeyFYQOZVMETYGSLD-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.37
Rot. Bonds5

About 2-(2-amino-4-methylsulfonyl-N-propan-2-ylanilino)acetamide

2-(2-amino-4-methylsulfonyl-N-propan-2-ylanilino)acetamide (PubChem CID 54989457) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(2-amino-4-methylsulfonyl-N-propan-2-ylanilino)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-methylsulfonyl-N-propan-2-ylanilino)acetamide
PubChem CID54989457
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-(2-amino-4-methylsulfonyl-N-propan-2-ylanilino)acetamide
SMILESCC(C)N(CC(N)=O)c1ccc(S(C)(=O)=O)cc1N
InChIInChI=1S/C12H19N3O3S/c1-8(2)15(7-12(14)16)11-5-4-9(6-10(11)13)19(3,17)18/h4-6,8H,7,13H2,1-3H3,(H2,14,16)
InChIKeyFYQOZVMETYGSLD-UHFFFAOYSA-N
XLogP0.37
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.37
H-Bond Donors ≤ 52
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)-N-propan-2-ylanilino]acetamide
CID 82899245
1-N-methyl-1-N-(2-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43382637
3-amino-4-[3-hydroxypropyl(propan-2-yl)amino]benzenesulfonamide
CID 54993716
1-N-ethyl-1-N-(2-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine
CID 79477025
methyl 5-amino-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]benzoate
CID 54987497
3-(2-amino-N-methyl-4-methylsulfonylanilino)butanenitrile
CID 63223014
1-N-butyl-1-N-methyl-4-methylsulfonylbenzene-1,2-diamine
CID 43447947
2-[2-amino-N-(cyanomethyl)-4-methylsulfonylanilino]acetonitrile
CID 43382624
2-(2-amino-4-methylsulfonylanilino)-N-ethylpropanamide
CID 61476320
1-N-cyclopropyl-1-N-(3-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine
CID 78973880
2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-5-fluorobenzoic acid
CID 54989181
2-[4-(aminomethyl)-2-chloro-N-propan-2-ylanilino]acetamide
CID 63088349

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methylsulfonyl-N-propan-2-ylanilino)acetamide?
The IUPAC name of 2-(2-amino-4-methylsulfonyl-N-propan-2-ylanilino)acetamide (CID 54989457) is 2-(2-amino-4-methylsulfonyl-N-propan-2-ylanilino)acetamide.
What is the SMILES notation for 2-(2-amino-4-methylsulfonyl-N-propan-2-ylanilino)acetamide?
The canonical SMILES for 2-(2-amino-4-methylsulfonyl-N-propan-2-ylanilino)acetamide is CC(C)N(CC(N)=O)c1ccc(S(C)(=O)=O)cc1N.
What is the InChIKey of 2-(2-amino-4-methylsulfonyl-N-propan-2-ylanilino)acetamide?
The InChIKey is FYQOZVMETYGSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-8(2)15(7-12(14)16)11-5-4-9(6-10(11)13)19(3,17)18/h4-6,8H,7,13H2,1-3H3,(H2,14,16).
What are the key properties of 2-(2-amino-4-methylsulfonyl-N-propan-2-ylanilino)acetamide?
2-(2-amino-4-methylsulfonyl-N-propan-2-ylanilino)acetamide has a molecular weight of 285.37 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methylsulfonyl-N-propan-2-ylanilino)acetamide is sourced from PubChem (CID 54989457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).