N-(2-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide

C16H18N2O2S — CID 61298351

IUPACN-(2-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccccc1SC(C)C(=O)Nc1ccccc1N
InChIInChI=1S/C16H18N2O2S/c1-11(21-15-10-6-5-9-14(15)20-2)16(19)18-13-8-4-3-7-12(13)17/h3-11H,17H2,1-2H3,(H,18,19)
InChIKeyNUKYIJOATWKDPA-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.40
Rot. Bonds5

About N-(2-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide

N-(2-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide (PubChem CID 61298351) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide
PubChem CID61298351
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-(2-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccccc1SC(C)C(=O)Nc1ccccc1N
InChIInChI=1S/C16H18N2O2S/c1-11(21-15-10-6-5-9-14(15)20-2)16(19)18-13-8-4-3-7-12(13)17/h3-11H,17H2,1-2H3,(H,18,19)
InChIKeyNUKYIJOATWKDPA-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'}

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Related Compounds

N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide
CID 61298346
(2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 9046467
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 2084302
N-(2-aminophenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 43105108
(2S)-N-tert-butyl-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214605
(2R)-N-cyclopropyl-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214634
2-(2-aminoethylsulfanyl)-N-(2-methoxyphenyl)propanamide
CID 82179913
2-(2-aminophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 19059132
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 28632787
2-(2-methoxyphenyl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 60593777
(2S)-N-cyclopentyl-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214627
(2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 2635570

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of N-(2-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide (CID 61298351) is N-(2-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(2-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-(2-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide is COc1ccccc1SC(C)C(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide?
The InChIKey is NUKYIJOATWKDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11(21-15-10-6-5-9-14(15)20-2)16(19)18-13-8-4-3-7-12(13)17/h3-11H,17H2,1-2H3,(H,18,19).
What are the key properties of N-(2-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide?
N-(2-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide 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-(2-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 61298351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).