5-amino-2-methyl-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide;hydrochloride

C19H25ClN2OS — CID 120635670

IUPAC5-amino-2-methyl-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)Nc1cccc(CSC(C)C)c1C.Cl
InChIInChI=1S/C19H24N2OS.ClH/c1-12(2)23-11-15-6-5-7-18(14(15)4)21-19(22)17-10-16(20)9-8-13(17)3;/h5-10,12H,11,20H2,1-4H3,(H,21,22);1H
InChIKeyRMTNMKDJDLONCH-UHFFFAOYSA-N
MW364.94 g/mol
LogP5.20
Rot. Bonds5

About 5-amino-2-methyl-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide;hydrochloride

5-amino-2-methyl-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide;hydrochloride (PubChem CID 120635670) has the molecular formula C19H25ClN2OS and a molecular weight of 364.94 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-2-methyl-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide;hydrochloride
PubChem CID120635670
Molecular FormulaC19H25ClN2OS
Molecular Weight364.94 g/mol
Exact Mass364.14
IUPAC Name5-amino-2-methyl-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)Nc1cccc(CSC(C)C)c1C.Cl
InChIInChI=1S/C19H24N2OS.ClH/c1-12(2)23-11-15-6-5-7-18(14(15)4)21-19(22)17-10-16(20)9-8-13(17)3;/h5-10,12H,11,20H2,1-4H3,(H,21,22);1H
InChIKeyRMTNMKDJDLONCH-UHFFFAOYSA-N
XLogP5.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.94
LogP ≤ 55.20
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

3-amino-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide
CID 119801447
4-amino-5-chloro-2-methoxy-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide
CID 119801463
N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]pyrazine-2-carboxamide
CID 71999234
1-amino-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119333795
2-(2-aminoethyl)-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 120635673
5-amino-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-2-methylbenzamide
CID 120635238
5-amino-N-(2-bromo-3-chlorophenyl)-2-methylbenzamide
CID 103477113
1-(4-hydroxy-2-methylpentyl)-3-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]urea
CID 111475333
1-[1-(hydroxymethyl)cyclopentyl]-3-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]urea
CID 111926596
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-5-amino-2-methylbenzamide
CID 120623542
5-amino-N-[2-(difluoromethoxy)phenyl]-2-methylbenzamide
CID 61290396
1-(1-hydroxy-2-methylbutan-2-yl)-3-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]urea
CID 111926599

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide;hydrochloride?
The IUPAC name of 5-amino-2-methyl-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide;hydrochloride (CID 120635670) is 5-amino-2-methyl-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide;hydrochloride.
What is the SMILES notation for 5-amino-2-methyl-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide;hydrochloride?
The canonical SMILES for 5-amino-2-methyl-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide;hydrochloride is Cc1ccc(N)cc1C(=O)Nc1cccc(CSC(C)C)c1C.Cl.
What is the InChIKey of 5-amino-2-methyl-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide;hydrochloride?
The InChIKey is RMTNMKDJDLONCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS.ClH/c1-12(2)23-11-15-6-5-7-18(14(15)4)21-19(22)17-10-16(20)9-8-13(17)3;/h5-10,12H,11,20H2,1-4H3,(H,21,22);1H.
What are the key properties of 5-amino-2-methyl-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide;hydrochloride?
5-amino-2-methyl-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide;hydrochloride has a molecular weight of 364.94 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide;hydrochloride is sourced from PubChem (CID 120635670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).