N-(2-aminophenyl)-N-ethyl-2-methylsulfonylpropanamide

C12H18N2O3S — CID 104517317

IUPACN-(2-aminophenyl)-N-ethyl-2-methylsulfonylpropanamide
SMILESCCN(C(=O)C(C)S(C)(=O)=O)c1ccccc1N
InChIInChI=1S/C12H18N2O3S/c1-4-14(11-8-6-5-7-10(11)13)12(15)9(2)18(3,16)17/h5-9H,4,13H2,1-3H3
InChIKeyTYTBRHARCPXVMT-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.05
Rot. Bonds4

About N-(2-aminophenyl)-N-ethyl-2-methylsulfonylpropanamide

N-(2-aminophenyl)-N-ethyl-2-methylsulfonylpropanamide (PubChem CID 104517317) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-(2-aminophenyl)-N-ethyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N-ethyl-2-methylsulfonylpropanamide
PubChem CID104517317
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-(2-aminophenyl)-N-ethyl-2-methylsulfonylpropanamide
SMILESCCN(C(=O)C(C)S(C)(=O)=O)c1ccccc1N
InChIInChI=1S/C12H18N2O3S/c1-4-14(11-8-6-5-7-10(11)13)12(15)9(2)18(3,16)17/h5-9H,4,13H2,1-3H3
InChIKeyTYTBRHARCPXVMT-UHFFFAOYSA-N
XLogP1.05
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-aminophenyl)-N-ethyl-2-methylsulfonylpropanamide 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

1-(2-aminophenyl)-1-ethyl-3,3-dimethylurea
CID 79153610
N-(2-aminophenyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide
CID 65206613
(2R)-N-ethyl-N-naphthalen-1-yl-2-propan-2-ylsulfonylpropanamide
CID 95625088
N-(2-aminophenyl)-N-ethyl-2-methoxyacetamide
CID 62100815
N-(2-aminophenyl)-N-ethyl-3-(2-methylphenyl)propanamide
CID 62365327
N-(3-aminopropyl)-2-methylsulfonyl-N-phenylpropanamide
CID 104517075
N-(2-aminophenyl)-N-ethyl-1,1-difluoromethanesulfonamide
CID 62102958
2-methylpropyl N-(2-aminophenyl)-N-propylcarbamate
CID 55173815
N-(2-aminophenyl)-N-ethyl-2-(2-methylphenyl)acetamide
CID 62100818
1-(2-aminophenyl)-3,3-diethyl-1-propylurea
CID 79154664
N-(2-aminophenyl)-N-(2-hydroxyethyl)-4-methylpentanamide
CID 43547827
N-(2-aminophenyl)-N-ethyl-4-methoxybenzamide
CID 62101473

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-N-ethyl-2-methylsulfonylpropanamide?
The IUPAC name of N-(2-aminophenyl)-N-ethyl-2-methylsulfonylpropanamide (CID 104517317) is N-(2-aminophenyl)-N-ethyl-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(2-aminophenyl)-N-ethyl-2-methylsulfonylpropanamide?
The canonical SMILES for N-(2-aminophenyl)-N-ethyl-2-methylsulfonylpropanamide is CCN(C(=O)C(C)S(C)(=O)=O)c1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-N-ethyl-2-methylsulfonylpropanamide?
The InChIKey is TYTBRHARCPXVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-4-14(11-8-6-5-7-10(11)13)12(15)9(2)18(3,16)17/h5-9H,4,13H2,1-3H3.
What are the key properties of N-(2-aminophenyl)-N-ethyl-2-methylsulfonylpropanamide?
N-(2-aminophenyl)-N-ethyl-2-methylsulfonylpropanamide has a molecular weight of 270.35 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-N-ethyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 104517317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).