2-[(2-aminophenyl)methylsulfonyl-methylamino]-N,N-diethylacetamide

C14H23N3O3S — CID 62020164

IUPAC2-[(2-aminophenyl)methylsulfonyl-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)S(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C14H23N3O3S/c1-4-17(5-2)14(18)10-16(3)21(19,20)11-12-8-6-7-9-13(12)15/h6-9H,4-5,10-11,15H2,1-3H3
InChIKeyGLBFGGSJQDKSAQ-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.90
Rot. Bonds7

About 2-[(2-aminophenyl)methylsulfonyl-methylamino]-N,N-diethylacetamide

2-[(2-aminophenyl)methylsulfonyl-methylamino]-N,N-diethylacetamide (PubChem CID 62020164) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methylsulfonyl-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(2-aminophenyl)methylsulfonyl-methylamino]-N,N-diethylacetamide
PubChem CID62020164
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-[(2-aminophenyl)methylsulfonyl-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)S(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C14H23N3O3S/c1-4-17(5-2)14(18)10-16(3)21(19,20)11-12-8-6-7-9-13(12)15/h6-9H,4-5,10-11,15H2,1-3H3
InChIKeyGLBFGGSJQDKSAQ-UHFFFAOYSA-N
XLogP0.90
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2-aminophenyl)methylsulfonyl-methylamino]-N,N-diethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-aminophenyl)methylsulfonyl-methylamino]acetamide
CID 62020888
methyl 2-[(2-aminophenyl)methylsulfonyl-methylamino]acetate
CID 62021460
2-[(2-aminophenyl)methylsulfonyl-methylamino]-N-propan-2-ylacetamide
CID 62020724
1-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylmethanesulfonamide
CID 62022053
1-(2-aminophenyl)-N-methyl-N-pentylmethanesulfonamide
CID 62020148
2-[[2-(aminomethyl)phenyl]sulfonyl-methylamino]-N,N-diethylacetamide
CID 61452012
1-(2-aminophenyl)-N-methyl-N-propan-2-ylmethanesulfonamide
CID 62022605
1-(2-aminophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide
CID 62022626
1-(2-aminophenyl)-N,N-dibutylmethanesulfonamide
CID 62020523
2-(2-aminophenyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 61118628
1-(2-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide
CID 79381244
1-(2-aminophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]methanesulfonamide
CID 63879084

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methylsulfonyl-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(2-aminophenyl)methylsulfonyl-methylamino]-N,N-diethylacetamide (CID 62020164) is 2-[(2-aminophenyl)methylsulfonyl-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(2-aminophenyl)methylsulfonyl-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(2-aminophenyl)methylsulfonyl-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)S(=O)(=O)Cc1ccccc1N.
What is the InChIKey of 2-[(2-aminophenyl)methylsulfonyl-methylamino]-N,N-diethylacetamide?
The InChIKey is GLBFGGSJQDKSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-4-17(5-2)14(18)10-16(3)21(19,20)11-12-8-6-7-9-13(12)15/h6-9H,4-5,10-11,15H2,1-3H3.
What are the key properties of 2-[(2-aminophenyl)methylsulfonyl-methylamino]-N,N-diethylacetamide?
2-[(2-aminophenyl)methylsulfonyl-methylamino]-N,N-diethylacetamide has a molecular weight of 313.42 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methylsulfonyl-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 62020164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).