2-[(5-amino-2-methylphenyl)sulfanylmethyl]benzamide

C15H16N2OS — CID 79141355

IUPAC2-[(5-amino-2-methylphenyl)sulfanylmethyl]benzamide
SMILESCc1ccc(N)cc1SCc1ccccc1C(N)=O
InChIInChI=1S/C15H16N2OS/c1-10-6-7-12(16)8-14(10)19-9-11-4-2-3-5-13(11)15(17)18/h2-8H,9,16H2,1H3,(H2,17,18)
InChIKeyRGUQNJBNQGVNOU-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.97
Rot. Bonds4

About 2-[(5-amino-2-methylphenyl)sulfanylmethyl]benzamide

2-[(5-amino-2-methylphenyl)sulfanylmethyl]benzamide (PubChem CID 79141355) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-[(5-amino-2-methylphenyl)sulfanylmethyl]benzamide.

Molecular Properties

Compound Name2-[(5-amino-2-methylphenyl)sulfanylmethyl]benzamide
PubChem CID79141355
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name2-[(5-amino-2-methylphenyl)sulfanylmethyl]benzamide
SMILESCc1ccc(N)cc1SCc1ccccc1C(N)=O
InChIInChI=1S/C15H16N2OS/c1-10-6-7-12(16)8-14(10)19-9-11-4-2-3-5-13(11)15(17)18/h2-8H,9,16H2,1H3,(H2,17,18)
InChIKeyRGUQNJBNQGVNOU-UHFFFAOYSA-N
XLogP2.97
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.97
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

2-[(5-amino-2-methylphenyl)sulfanylmethyl]benzoic acid
CID 79140772
2-[(4-amino-2-chlorophenyl)sulfanylmethyl]benzamide
CID 43305543
(2-carbamoylphenyl)methyl 5-amino-2-methylbenzoate
CID 61322116
2-[(5-amino-2-methylphenyl)sulfinylmethyl]benzamide
CID 81190861
2-[(5-amino-2-chlorophenyl)sulfanylmethyl]benzohydrazide
CID 79142609
3-[(5-amino-2-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 79141449
3-[(3,5-dimethylphenyl)methylsulfanyl]-4-methylaniline
CID 79141939
3-methyl-4-[(2-methylphenyl)methylsulfanyl]aniline
CID 43303257
2-(2-aminopropylsulfanylmethyl)benzamide
CID 66218202
3-(5-amino-2-methylphenyl)sulfanyl-2,2-dimethylpropanoic acid
CID 79629846
3-(furan-2-ylmethylsulfanyl)-4-methylaniline
CID 62588700
3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-4-methylaniline
CID 79141845

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-methylphenyl)sulfanylmethyl]benzamide?
The IUPAC name of 2-[(5-amino-2-methylphenyl)sulfanylmethyl]benzamide (CID 79141355) is 2-[(5-amino-2-methylphenyl)sulfanylmethyl]benzamide.
What is the SMILES notation for 2-[(5-amino-2-methylphenyl)sulfanylmethyl]benzamide?
The canonical SMILES for 2-[(5-amino-2-methylphenyl)sulfanylmethyl]benzamide is Cc1ccc(N)cc1SCc1ccccc1C(N)=O.
What is the InChIKey of 2-[(5-amino-2-methylphenyl)sulfanylmethyl]benzamide?
The InChIKey is RGUQNJBNQGVNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-10-6-7-12(16)8-14(10)19-9-11-4-2-3-5-13(11)15(17)18/h2-8H,9,16H2,1H3,(H2,17,18).
What are the key properties of 2-[(5-amino-2-methylphenyl)sulfanylmethyl]benzamide?
2-[(5-amino-2-methylphenyl)sulfanylmethyl]benzamide has a molecular weight of 272.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-methylphenyl)sulfanylmethyl]benzamide is sourced from PubChem (CID 79141355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).