N-[(4-aminophenyl)methyl]-2-methylsulfanylbenzamide

C15H16N2OS — CID 79214611

IUPACN-[(4-aminophenyl)methyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCc1ccc(N)cc1
InChIInChI=1S/C15H16N2OS/c1-19-14-5-3-2-4-13(14)15(18)17-10-11-6-8-12(16)9-7-11/h2-9H,10,16H2,1H3,(H,17,18)
InChIKeyBOTYOKOYIREONK-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.92
Rot. Bonds4

About N-[(4-aminophenyl)methyl]-2-methylsulfanylbenzamide

N-[(4-aminophenyl)methyl]-2-methylsulfanylbenzamide (PubChem CID 79214611) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-2-methylsulfanylbenzamide
PubChem CID79214611
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-[(4-aminophenyl)methyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCc1ccc(N)cc1
InChIInChI=1S/C15H16N2OS/c1-19-14-5-3-2-4-13(14)15(18)17-10-11-6-8-12(16)9-7-11/h2-9H,10,16H2,1H3,(H,17,18)
InChIKeyBOTYOKOYIREONK-UHFFFAOYSA-N
XLogP2.92
TPSA55.12 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 ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-methylsulfanylbenzamide
CID 966900
N-[(4-acetamidophenyl)methyl]-2-methylsulfanylbenzamide
CID 18153850
N-[(4-aminophenyl)methyl]-2-methylbenzamide
CID 60892796
N-[(4-aminophenyl)methyl]-2-chlorobenzamide
CID 39360992
N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanylbenzamide
CID 92532211
N-[(4-aminophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 81481324
N-[(4-aminophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 60891251
N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanylbenzamide
CID 110483761
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylsulfanylbenzamide
CID 91768199
N-(2-aminopropyl)-2-methylsulfanylbenzamide
CID 79218118
N-[(4-aminophenyl)methyl]-3-chloro-2-methylbenzamide
CID 110484084
N-[(4-aminophenyl)methyl]-2,6-difluorobenzamide
CID 60893159

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-2-methylsulfanylbenzamide (CID 79214611) is N-[(4-aminophenyl)methyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NCc1ccc(N)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-2-methylsulfanylbenzamide?
The InChIKey is BOTYOKOYIREONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-19-14-5-3-2-4-13(14)15(18)17-10-11-6-8-12(16)9-7-11/h2-9H,10,16H2,1H3,(H,17,18).
What are the key properties of N-[(4-aminophenyl)methyl]-2-methylsulfanylbenzamide?
N-[(4-aminophenyl)methyl]-2-methylsulfanylbenzamide has a molecular weight of 272.37 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 79214611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).