2-(2-aminophenyl)sulfinyl-N-butylpropanamide

C13H20N2O2S — CID 61366897

IUPAC2-(2-aminophenyl)sulfinyl-N-butylpropanamide
SMILESCCCCNC(=O)C(C)S(=O)c1ccccc1N
InChIInChI=1S/C13H20N2O2S/c1-3-4-9-15-13(16)10(2)18(17)12-8-6-5-7-11(12)14/h5-8,10H,3-4,9,14H2,1-2H3,(H,15,16)
InChIKeyLNGYQPCDQQMKQY-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.68
Rot. Bonds6

About 2-(2-aminophenyl)sulfinyl-N-butylpropanamide

2-(2-aminophenyl)sulfinyl-N-butylpropanamide (PubChem CID 61366897) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfinyl-N-butylpropanamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfinyl-N-butylpropanamide
PubChem CID61366897
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-(2-aminophenyl)sulfinyl-N-butylpropanamide
SMILESCCCCNC(=O)C(C)S(=O)c1ccccc1N
InChIInChI=1S/C13H20N2O2S/c1-3-4-9-15-13(16)10(2)18(17)12-8-6-5-7-11(12)14/h5-8,10H,3-4,9,14H2,1-2H3,(H,15,16)
InChIKeyLNGYQPCDQQMKQY-UHFFFAOYSA-N
XLogP1.68
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-aminophenyl)sulfinyl-N-butylpropanamide 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)sulfinyl-N-(ethylcarbamoyl)propanamide
CID 61366710
2-(2-amino-6-chlorophenyl)sulfinyl-N-butylpropanamide
CID 81186246
2-(2-aminophenyl)sulfinyl-N-(2-methylbutan-2-yl)propanamide
CID 61367476
2-(5-amino-2-chlorophenyl)sulfinyl-N-pentylpropanamide
CID 81201509
2-(4-amino-3-fluorophenyl)sulfinyl-N-pentylpropanamide
CID 81190422
2-(2-fluorophenyl)sulfinyl-N-(3-methoxypropyl)propanamide
CID 63791051
N-butyl-2-methyl-3-phenylpropanamide
CID 70830385
butylurea;2-methylaniline
CID 175391906
N-butyl-2-phenylpropanamide
CID 101453557
2-amino-N-pentylbenzenesulfinamide;ethane
CID 143020857
2-(3-amino-2-methylphenyl)sulfinyl-N-(furan-2-ylmethyl)propanamide
CID 81193044
5-[1-(butylamino)-1-oxopropan-2-yl]sulfinylfuran-2-carboxylic acid
CID 63944584

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfinyl-N-butylpropanamide?
The IUPAC name of 2-(2-aminophenyl)sulfinyl-N-butylpropanamide (CID 61366897) is 2-(2-aminophenyl)sulfinyl-N-butylpropanamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfinyl-N-butylpropanamide?
The canonical SMILES for 2-(2-aminophenyl)sulfinyl-N-butylpropanamide is CCCCNC(=O)C(C)S(=O)c1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)sulfinyl-N-butylpropanamide?
The InChIKey is LNGYQPCDQQMKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-4-9-15-13(16)10(2)18(17)12-8-6-5-7-11(12)14/h5-8,10H,3-4,9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-aminophenyl)sulfinyl-N-butylpropanamide?
2-(2-aminophenyl)sulfinyl-N-butylpropanamide has a molecular weight of 268.38 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfinyl-N-butylpropanamide is sourced from PubChem (CID 61366897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).