N-(4-amino-2-methoxyphenyl)-2-phenylsulfanylpropanamide

C16H18N2O2S — CID 43104129

IUPACN-(4-amino-2-methoxyphenyl)-2-phenylsulfanylpropanamide
SMILESCOc1cc(N)ccc1NC(=O)C(C)Sc1ccccc1
InChIInChI=1S/C16H18N2O2S/c1-11(21-13-6-4-3-5-7-13)16(19)18-14-9-8-12(17)10-15(14)20-2/h3-11H,17H2,1-2H3,(H,18,19)
InChIKeyMWEBPFJWCLILTM-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.40
Rot. Bonds5

About N-(4-amino-2-methoxyphenyl)-2-phenylsulfanylpropanamide

N-(4-amino-2-methoxyphenyl)-2-phenylsulfanylpropanamide (PubChem CID 43104129) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-2-phenylsulfanylpropanamide
PubChem CID43104129
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-(4-amino-2-methoxyphenyl)-2-phenylsulfanylpropanamide
SMILESCOc1cc(N)ccc1NC(=O)C(C)Sc1ccccc1
InChIInChI=1S/C16H18N2O2S/c1-11(21-13-6-4-3-5-7-13)16(19)18-14-9-8-12(17)10-15(14)20-2/h3-11H,17H2,1-2H3,(H,18,19)
InChIKeyMWEBPFJWCLILTM-UHFFFAOYSA-N
XLogP3.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-amino-2-methoxyphenyl)-2-phenylsulfanylpropanamide 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

N-(4-amino-2-chlorophenyl)-2-phenylsulfanylpropanamide
CID 43107317
N-(5-amino-2-methylphenyl)-2-phenylsulfanylpropanamide
CID 43187416
(2S)-N-(2-methoxy-5-methylphenyl)-2-phenylsulfanylpropanamide
CID 26733753
N-(4-amino-2-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide
CID 63381129
N-(4-amino-2-methoxyphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 66104221
N-(4-aminophenyl)-2-phenylsulfanylpropanamide
CID 43187412
(2R)-N-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 9398153
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 28632787
N-(3-acetamido-4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 46542331
N-(4-amino-2-methoxyphenyl)-2-(oxan-4-ylsulfanyl)propanamide
CID 62995880
N-(2,4-dimethoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylpropanamide
CID 19316287
(2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 2635570

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-2-phenylsulfanylpropanamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-2-phenylsulfanylpropanamide (CID 43104129) is N-(4-amino-2-methoxyphenyl)-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-2-phenylsulfanylpropanamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-2-phenylsulfanylpropanamide is COc1cc(N)ccc1NC(=O)C(C)Sc1ccccc1.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-2-phenylsulfanylpropanamide?
The InChIKey is MWEBPFJWCLILTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11(21-13-6-4-3-5-7-13)16(19)18-14-9-8-12(17)10-15(14)20-2/h3-11H,17H2,1-2H3,(H,18,19).
What are the key properties of N-(4-amino-2-methoxyphenyl)-2-phenylsulfanylpropanamide?
N-(4-amino-2-methoxyphenyl)-2-phenylsulfanylpropanamide has a molecular weight of 302.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-2-phenylsulfanylpropanamide is sourced from PubChem (CID 43104129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).