3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)benzamide;hydrochloride

C18H23ClN2OS — CID 119765605

IUPAC3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)benzamide;hydrochloride
SMILESCc1cc(SC(C)(C)C)ccc1NC(=O)c1cccc(N)c1.Cl
InChIInChI=1S/C18H22N2OS.ClH/c1-12-10-15(22-18(2,3)4)8-9-16(12)20-17(21)13-6-5-7-14(19)11-13;/h5-11H,19H2,1-4H3,(H,20,21);1H
InChIKeyAKGCOJQEJBQCBN-UHFFFAOYSA-N
MW350.92 g/mol
LogP5.14
Rot. Bonds3

About 3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)benzamide;hydrochloride

3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)benzamide;hydrochloride (PubChem CID 119765605) has the molecular formula C18H23ClN2OS and a molecular weight of 350.92 g/mol. Its IUPAC name is 3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)benzamide;hydrochloride
PubChem CID119765605
Molecular FormulaC18H23ClN2OS
Molecular Weight350.92 g/mol
Exact Mass350.12
IUPAC Name3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)benzamide;hydrochloride
SMILESCc1cc(SC(C)(C)C)ccc1NC(=O)c1cccc(N)c1.Cl
InChIInChI=1S/C18H22N2OS.ClH/c1-12-10-15(22-18(2,3)4)8-9-16(12)20-17(21)13-6-5-7-14(19)11-13;/h5-11H,19H2,1-4H3,(H,20,21);1H
InChIKeyAKGCOJQEJBQCBN-UHFFFAOYSA-N
XLogP5.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.92
LogP ≤ 55.14
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

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3-amino-N-(2-chloro-3-methylphenyl)benzamide
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4-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide;hydrochloride
CID 120561921
3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)butanamide
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3-amino-N-(2-methylsulfanylphenyl)benzamide
CID 43702687
1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 111976910
N-(4-amino-2-methylphenyl)-3-(difluoromethoxy)benzamide
CID 28973900
2-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide
CID 119313181
3-amino-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119753451
3-amino-N-(2-bromo-5-methylphenyl)benzamide
CID 82761550
3-amino-N-(2-methyl-5-sulfamoylphenyl)benzamide
CID 43710895

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)benzamide;hydrochloride?
The IUPAC name of 3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)benzamide;hydrochloride (CID 119765605) is 3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)benzamide;hydrochloride is Cc1cc(SC(C)(C)C)ccc1NC(=O)c1cccc(N)c1.Cl.
What is the InChIKey of 3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)benzamide;hydrochloride?
The InChIKey is AKGCOJQEJBQCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS.ClH/c1-12-10-15(22-18(2,3)4)8-9-16(12)20-17(21)13-6-5-7-14(19)11-13;/h5-11H,19H2,1-4H3,(H,20,21);1H.
What are the key properties of 3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)benzamide;hydrochloride?
3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)benzamide;hydrochloride has a molecular weight of 350.92 g/mol, XLogP of 5.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)benzamide;hydrochloride is sourced from PubChem (CID 119765605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).