N-[2-amino-5-(3-methylphenyl)sulfinylphenyl]acetamide

C15H16N2O2S — CID 70626305

IUPACN-[2-amino-5-(3-methylphenyl)sulfinylphenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)c2cccc(C)c2)ccc1N
InChIInChI=1S/C15H16N2O2S/c1-10-4-3-5-12(8-10)20(19)13-6-7-14(16)15(9-13)17-11(2)18/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyQMJQCWGORWJVBM-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.70
Rot. Bonds3

About N-[2-amino-5-(3-methylphenyl)sulfinylphenyl]acetamide

N-[2-amino-5-(3-methylphenyl)sulfinylphenyl]acetamide (PubChem CID 70626305) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[2-amino-5-(3-methylphenyl)sulfinylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-amino-5-(3-methylphenyl)sulfinylphenyl]acetamide
PubChem CID70626305
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-[2-amino-5-(3-methylphenyl)sulfinylphenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)c2cccc(C)c2)ccc1N
InChIInChI=1S/C15H16N2O2S/c1-10-4-3-5-12(8-10)20(19)13-6-7-14(16)15(9-13)17-11(2)18/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyQMJQCWGORWJVBM-UHFFFAOYSA-N
XLogP2.70
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.70
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-[2-amino-5-(3-methylphenyl)sulfinylphenyl]acetamide?
The IUPAC name of N-[2-amino-5-(3-methylphenyl)sulfinylphenyl]acetamide (CID 70626305) is N-[2-amino-5-(3-methylphenyl)sulfinylphenyl]acetamide.
What is the SMILES notation for N-[2-amino-5-(3-methylphenyl)sulfinylphenyl]acetamide?
The canonical SMILES for N-[2-amino-5-(3-methylphenyl)sulfinylphenyl]acetamide is CC(=O)Nc1cc(S(=O)c2cccc(C)c2)ccc1N.
What is the InChIKey of N-[2-amino-5-(3-methylphenyl)sulfinylphenyl]acetamide?
The InChIKey is QMJQCWGORWJVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10-4-3-5-12(8-10)20(19)13-6-7-14(16)15(9-13)17-11(2)18/h3-9H,16H2,1-2H3,(H,17,18).
What are the key properties of N-[2-amino-5-(3-methylphenyl)sulfinylphenyl]acetamide?
N-[2-amino-5-(3-methylphenyl)sulfinylphenyl]acetamide has a molecular weight of 288.37 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(3-methylphenyl)sulfinylphenyl]acetamide is sourced from PubChem (CID 70626305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).