N-(2-aminophenyl)-3-(3-methylphenyl)sulfanylpropanamide

C16H18N2OS — CID 61245255

IUPACN-(2-aminophenyl)-3-(3-methylphenyl)sulfanylpropanamide
SMILESCc1cccc(SCCC(=O)Nc2ccccc2N)c1
InChIInChI=1S/C16H18N2OS/c1-12-5-4-6-13(11-12)20-10-9-16(19)18-15-8-3-2-7-14(15)17/h2-8,11H,9-10,17H2,1H3,(H,18,19)
InChIKeyFXMBSOUELDKXNL-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.70
Rot. Bonds5

About N-(2-aminophenyl)-3-(3-methylphenyl)sulfanylpropanamide

N-(2-aminophenyl)-3-(3-methylphenyl)sulfanylpropanamide (PubChem CID 61245255) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(3-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-(3-methylphenyl)sulfanylpropanamide
PubChem CID61245255
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-(2-aminophenyl)-3-(3-methylphenyl)sulfanylpropanamide
SMILESCc1cccc(SCCC(=O)Nc2ccccc2N)c1
InChIInChI=1S/C16H18N2OS/c1-12-5-4-6-13(11-12)20-10-9-16(19)18-15-8-3-2-7-14(15)17/h2-8,11H,9-10,17H2,1H3,(H,18,19)
InChIKeyFXMBSOUELDKXNL-UHFFFAOYSA-N
XLogP3.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-3-[(3-methylphenyl)methylsulfanyl]propanamide
CID 62771444
N-carbamoyl-3-(3-methylphenyl)sulfanylpropanamide
CID 47449185
3-(2-amino-4-methylphenyl)sulfanyl-N-(2-fluorophenyl)propanamide
CID 43302341
N-(2-aminophenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide
CID 62268023
N-(2-aminophenyl)-2-(3-bromophenyl)sulfanylacetamide
CID 55119815
N-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119422835
N-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 956628
N-(4-amino-2-methylphenyl)-2-(3-methylphenyl)sulfanylacetamide
CID 61244892
N-(4-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide
CID 1251693
3-[3-(2-aminoanilino)-3-oxopropoxy]-N-(4-methylphenyl)propanamide
CID 45255323
N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide
CID 18071037
N-(2-aminophenyl)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 63738165

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(3-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-(2-aminophenyl)-3-(3-methylphenyl)sulfanylpropanamide (CID 61245255) is N-(2-aminophenyl)-3-(3-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-(3-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-(2-aminophenyl)-3-(3-methylphenyl)sulfanylpropanamide is Cc1cccc(SCCC(=O)Nc2ccccc2N)c1.
What is the InChIKey of N-(2-aminophenyl)-3-(3-methylphenyl)sulfanylpropanamide?
The InChIKey is FXMBSOUELDKXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-12-5-4-6-13(11-12)20-10-9-16(19)18-15-8-3-2-7-14(15)17/h2-8,11H,9-10,17H2,1H3,(H,18,19).
What are the key properties of N-(2-aminophenyl)-3-(3-methylphenyl)sulfanylpropanamide?
N-(2-aminophenyl)-3-(3-methylphenyl)sulfanylpropanamide has a molecular weight of 286.40 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-(3-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 61245255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).