N-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide

C15H16N2OS — CID 62910785

IUPACN-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2ccc(C)c(N)c2)cc1
InChIInChI=1S/C15H16N2OS/c1-10-3-6-14(9-15(10)16)19-13-7-4-12(5-8-13)17-11(2)18/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyUPCYRMFOJPRILN-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.69
Rot. Bonds3

About N-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide

N-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide (PubChem CID 62910785) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide
PubChem CID62910785
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2ccc(C)c(N)c2)cc1
InChIInChI=1S/C15H16N2OS/c1-10-3-6-14(9-15(10)16)19-13-7-4-12(5-8-13)17-11(2)18/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyUPCYRMFOJPRILN-UHFFFAOYSA-N
XLogP3.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide?
The IUPAC name of N-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide (CID 62910785) is N-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide is CC(=O)Nc1ccc(Sc2ccc(C)c(N)c2)cc1.
What is the InChIKey of N-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide?
The InChIKey is UPCYRMFOJPRILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-10-3-6-14(9-15(10)16)19-13-7-4-12(5-8-13)17-11(2)18/h3-9H,16H2,1-2H3,(H,17,18).
What are the key properties of N-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide?
N-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide has a molecular weight of 272.37 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide is sourced from PubChem (CID 62910785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).