N-[2-amino-5-(4-cyanophenyl)sulfinylphenyl]acetamide

C15H13N3O2S — CID 70626395

IUPACN-[2-amino-5-(4-cyanophenyl)sulfinylphenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)c2ccc(C#N)cc2)ccc1N
InChIInChI=1S/C15H13N3O2S/c1-10(19)18-15-8-13(6-7-14(15)17)21(20)12-4-2-11(9-16)3-5-12/h2-8H,17H2,1H3,(H,18,19)
InChIKeyXCYFTNXXZZSWTA-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.27
Rot. Bonds3

About N-[2-amino-5-(4-cyanophenyl)sulfinylphenyl]acetamide

N-[2-amino-5-(4-cyanophenyl)sulfinylphenyl]acetamide (PubChem CID 70626395) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[2-amino-5-(4-cyanophenyl)sulfinylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-amino-5-(4-cyanophenyl)sulfinylphenyl]acetamide
PubChem CID70626395
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-[2-amino-5-(4-cyanophenyl)sulfinylphenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)c2ccc(C#N)cc2)ccc1N
InChIInChI=1S/C15H13N3O2S/c1-10(19)18-15-8-13(6-7-14(15)17)21(20)12-4-2-11(9-16)3-5-12/h2-8H,17H2,1H3,(H,18,19)
InChIKeyXCYFTNXXZZSWTA-UHFFFAOYSA-N
XLogP2.27
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-cyanophenyl)sulfinylphenyl]acetamide?
The IUPAC name of N-[2-amino-5-(4-cyanophenyl)sulfinylphenyl]acetamide (CID 70626395) is N-[2-amino-5-(4-cyanophenyl)sulfinylphenyl]acetamide.
What is the SMILES notation for N-[2-amino-5-(4-cyanophenyl)sulfinylphenyl]acetamide?
The canonical SMILES for N-[2-amino-5-(4-cyanophenyl)sulfinylphenyl]acetamide is CC(=O)Nc1cc(S(=O)c2ccc(C#N)cc2)ccc1N.
What is the InChIKey of N-[2-amino-5-(4-cyanophenyl)sulfinylphenyl]acetamide?
The InChIKey is XCYFTNXXZZSWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-10(19)18-15-8-13(6-7-14(15)17)21(20)12-4-2-11(9-16)3-5-12/h2-8H,17H2,1H3,(H,18,19).
What are the key properties of N-[2-amino-5-(4-cyanophenyl)sulfinylphenyl]acetamide?
N-[2-amino-5-(4-cyanophenyl)sulfinylphenyl]acetamide has a molecular weight of 299.36 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(4-cyanophenyl)sulfinylphenyl]acetamide is sourced from PubChem (CID 70626395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).