N-(2-aminophenyl)-3-[(3-methylphenyl)methylsulfanyl]propanamide

C17H20N2OS — CID 62771444

IUPACN-(2-aminophenyl)-3-[(3-methylphenyl)methylsulfanyl]propanamide
SMILESCc1cccc(CSCCC(=O)Nc2ccccc2N)c1
InChIInChI=1S/C17H20N2OS/c1-13-5-4-6-14(11-13)12-21-10-9-17(20)19-16-8-3-2-7-15(16)18/h2-8,11H,9-10,12,18H2,1H3,(H,19,20)
InChIKeyJPTNQFZSRFBISZ-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.84
Rot. Bonds6

About N-(2-aminophenyl)-3-[(3-methylphenyl)methylsulfanyl]propanamide

N-(2-aminophenyl)-3-[(3-methylphenyl)methylsulfanyl]propanamide (PubChem CID 62771444) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-[(3-methylphenyl)methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-[(3-methylphenyl)methylsulfanyl]propanamide
PubChem CID62771444
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-(2-aminophenyl)-3-[(3-methylphenyl)methylsulfanyl]propanamide
SMILESCc1cccc(CSCCC(=O)Nc2ccccc2N)c1
InChIInChI=1S/C17H20N2OS/c1-13-5-4-6-14(11-13)12-21-10-9-17(20)19-16-8-3-2-7-15(16)18/h2-8,11H,9-10,12,18H2,1H3,(H,19,20)
InChIKeyJPTNQFZSRFBISZ-UHFFFAOYSA-N
XLogP3.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.84
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'}

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Related Compounds

N-(2-aminophenyl)-3-(3-methylphenyl)sulfanylpropanamide
CID 61245255
N-(3,4-difluorophenyl)-3-[(3-methylphenyl)methylsulfanyl]propanamide
CID 46575169
3-benzylsulfanyl-N-(2,5-dimethylphenyl)propanamide
CID 8797847
N-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 18081104
4-[(3-methylphenyl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)butanamide
CID 43000863
N-(2-ethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 8839292
3-benzylsulfanyl-N-(2-methoxy-5-methylphenyl)propanamide
CID 8797304
4-[(3-methylphenyl)methylsulfanyl]butanoic acid
CID 60644612
N-(2-amino-5-chlorophenyl)-3-(3-methylphenyl)propanamide
CID 62366718
N-(4-amino-2-chlorophenyl)-3-benzylsulfanylpropanamide
CID 30053679
3-benzylsulfanyl-N-(2-methoxyphenyl)propanamide
CID 8797275
N-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119422835

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-[(3-methylphenyl)methylsulfanyl]propanamide?
The IUPAC name of N-(2-aminophenyl)-3-[(3-methylphenyl)methylsulfanyl]propanamide (CID 62771444) is N-(2-aminophenyl)-3-[(3-methylphenyl)methylsulfanyl]propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-[(3-methylphenyl)methylsulfanyl]propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-[(3-methylphenyl)methylsulfanyl]propanamide is Cc1cccc(CSCCC(=O)Nc2ccccc2N)c1.
What is the InChIKey of N-(2-aminophenyl)-3-[(3-methylphenyl)methylsulfanyl]propanamide?
The InChIKey is JPTNQFZSRFBISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-13-5-4-6-14(11-13)12-21-10-9-17(20)19-16-8-3-2-7-15(16)18/h2-8,11H,9-10,12,18H2,1H3,(H,19,20).
What are the key properties of N-(2-aminophenyl)-3-[(3-methylphenyl)methylsulfanyl]propanamide?
N-(2-aminophenyl)-3-[(3-methylphenyl)methylsulfanyl]propanamide has a molecular weight of 300.43 g/mol, XLogP of 3.84, 6 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)methylsulfanyl]propanamide is sourced from PubChem (CID 62771444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).