N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride

C18H23ClN2OS — CID 120568294

IUPACN-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride
SMILESCc1ccc(SCCC(=O)Nc2cc(N)ccc2C)cc1C.Cl
InChIInChI=1S/C18H22N2OS.ClH/c1-12-5-7-16(10-14(12)3)22-9-8-18(21)20-17-11-15(19)6-4-13(17)2;/h4-7,10-11H,8-9,19H2,1-3H3,(H,20,21);1H
InChIKeyPZFXSGXNUPSKBS-UHFFFAOYSA-N
MW350.92 g/mol
LogP4.74
Rot. Bonds5

About N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride

N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride (PubChem CID 120568294) has the molecular formula C18H23ClN2OS and a molecular weight of 350.92 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride
PubChem CID120568294
Molecular FormulaC18H23ClN2OS
Molecular Weight350.92 g/mol
Exact Mass350.12
IUPAC NameN-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride
SMILESCc1ccc(SCCC(=O)Nc2cc(N)ccc2C)cc1C.Cl
InChIInChI=1S/C18H22N2OS.ClH/c1-12-5-7-16(10-14(12)3)22-9-8-18(21)20-17-11-15(19)6-4-13(17)2;/h4-7,10-11H,8-9,19H2,1-3H3,(H,20,21);1H
InChIKeyPZFXSGXNUPSKBS-UHFFFAOYSA-N
XLogP4.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.92
LogP ≤ 54.74
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-(5-amino-2-methylphenyl)-4-methylsulfanylbutanamide
CID 61025006
N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenoxy)propanamide;hydrochloride
CID 120568118
N-(4-amino-2-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 29034745
N-(6-amino-3-pyridinyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride
CID 119516033
methyl 3-[3-(5-amino-2-methylanilino)-3-oxopropyl]sulfanylpropanoate
CID 43617765
N-(5-amino-2-methylphenyl)-3-(3-hydroxypropylsulfanyl)propanamide
CID 66114935
N-(5-amino-2-methylphenyl)-4,4-dimethylpentanamide;hydrochloride
CID 120569223
N-(5-amino-2-methylphenyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 120568425
3-(3,4-difluorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)propanamide
CID 9045097
N-(5-amino-2-methylphenyl)-3-(2-methylbutylsulfanyl)propanamide
CID 107748913
N-(5-amino-2-methylphenyl)-4-pyrimidin-2-ylsulfanylbutanamide
CID 28533558
N-(2-amino-2-methylpropyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 119629181

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride (CID 120568294) is N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride is Cc1ccc(SCCC(=O)Nc2cc(N)ccc2C)cc1C.Cl.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride?
The InChIKey is PZFXSGXNUPSKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS.ClH/c1-12-5-7-16(10-14(12)3)22-9-8-18(21)20-17-11-15(19)6-4-13(17)2;/h4-7,10-11H,8-9,19H2,1-3H3,(H,20,21);1H.
What are the key properties of N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride?
N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride has a molecular weight of 350.92 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride is sourced from PubChem (CID 120568294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).