2-[(2-aminophenyl)methylsulfonyl-(2-methylpropyl)amino]acetamide

C13H21N3O3S — CID 62020901

IUPAC2-[(2-aminophenyl)methylsulfonyl-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)S(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C13H21N3O3S/c1-10(2)7-16(8-13(15)17)20(18,19)9-11-5-3-4-6-12(11)14/h3-6,10H,7-9,14H2,1-2H3,(H2,15,17)
InChIKeyRMECTGLFTZSDJQ-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.54
Rot. Bonds7

About 2-[(2-aminophenyl)methylsulfonyl-(2-methylpropyl)amino]acetamide

2-[(2-aminophenyl)methylsulfonyl-(2-methylpropyl)amino]acetamide (PubChem CID 62020901) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methylsulfonyl-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[(2-aminophenyl)methylsulfonyl-(2-methylpropyl)amino]acetamide
PubChem CID62020901
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-[(2-aminophenyl)methylsulfonyl-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)S(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C13H21N3O3S/c1-10(2)7-16(8-13(15)17)20(18,19)9-11-5-3-4-6-12(11)14/h3-6,10H,7-9,14H2,1-2H3,(H2,15,17)
InChIKeyRMECTGLFTZSDJQ-UHFFFAOYSA-N
XLogP0.54
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.54
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-[(2-aminophenyl)methylsulfonyl-methylamino]acetamide
CID 62020888
1-(2-aminophenyl)-N-methyl-N-propan-2-ylmethanesulfonamide
CID 62022605
2-[(2-aminophenyl)methylsulfonyl-methylamino]-N-propan-2-ylacetamide
CID 62020724
1-(2-aminophenyl)-N,N-dibutylmethanesulfonamide
CID 62020523
2-[ethyl-[(2-methylphenyl)methylsulfonyl]amino]acetamide
CID 15118177
2-[[2-(aminomethyl)phenyl]methylsulfonyl-ethylamino]acetamide
CID 103101696
methyl 2-[(2-aminophenyl)methylsulfonyl-methylamino]acetate
CID 62021460
1-(2-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide
CID 79381244
2-[(2-amino-2-oxoethyl)-(2-methylpropyl)sulfamoyl]acetic acid
CID 60952335
1-(2-aminophenyl)-N,N-bis(prop-2-enyl)methanesulfonamide
CID 62021085
2-[(2-aminophenyl)methylsulfonyl-methylamino]-N,N-diethylacetamide
CID 62020164
2-[(3-amino-4-bromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 115328962

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methylsulfonyl-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[(2-aminophenyl)methylsulfonyl-(2-methylpropyl)amino]acetamide (CID 62020901) is 2-[(2-aminophenyl)methylsulfonyl-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[(2-aminophenyl)methylsulfonyl-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[(2-aminophenyl)methylsulfonyl-(2-methylpropyl)amino]acetamide is CC(C)CN(CC(N)=O)S(=O)(=O)Cc1ccccc1N.
What is the InChIKey of 2-[(2-aminophenyl)methylsulfonyl-(2-methylpropyl)amino]acetamide?
The InChIKey is RMECTGLFTZSDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-10(2)7-16(8-13(15)17)20(18,19)9-11-5-3-4-6-12(11)14/h3-6,10H,7-9,14H2,1-2H3,(H2,15,17).
What are the key properties of 2-[(2-aminophenyl)methylsulfonyl-(2-methylpropyl)amino]acetamide?
2-[(2-aminophenyl)methylsulfonyl-(2-methylpropyl)amino]acetamide has a molecular weight of 299.40 g/mol, XLogP of 0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methylsulfonyl-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 62020901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).