2-(4-amino-3-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide

C16H15N3OS — CID 79128325

IUPAC2-(4-amino-3-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide
SMILESCc1cc(SCC(=O)Nc2ccc(C#N)cc2)ccc1N
InChIInChI=1S/C16H15N3OS/c1-11-8-14(6-7-15(11)18)21-10-16(20)19-13-4-2-12(9-17)3-5-13/h2-8H,10,18H2,1H3,(H,19,20)
InChIKeyNKTJBHMGDTUGDD-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.18
Rot. Bonds4

About 2-(4-amino-3-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide

2-(4-amino-3-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide (PubChem CID 79128325) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(4-amino-3-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide
PubChem CID79128325
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name2-(4-amino-3-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide
SMILESCc1cc(SCC(=O)Nc2ccc(C#N)cc2)ccc1N
InChIInChI=1S/C16H15N3OS/c1-11-8-14(6-7-15(11)18)21-10-16(20)19-13-4-2-12(9-17)3-5-13/h2-8H,10,18H2,1H3,(H,19,20)
InChIKeyNKTJBHMGDTUGDD-UHFFFAOYSA-N
XLogP3.18
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-3-methylphenyl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 79126956
2-(4-amino-3-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 79147675
2-(4-amino-2-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide
CID 43302970
2-(4-amino-3-methylphenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 79128491
2-(4-amino-3-methylphenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide
CID 79147880
2-(2-amino-5-fluorophenyl)sulfanyl-N-(4-cyanophenyl)acetamide
CID 79128503
2-(4-amino-3-methylphenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 79128316
2-(4-amino-3-chlorophenyl)sulfanyl-N-(4-bromo-3-methylphenyl)acetamide
CID 79130220
N-(3-amino-4-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide
CID 43377361
N-(4-cyanophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 17453263
2-(3,4-dimethylphenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 7456554
2-(4-amino-3-methylphenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide
CID 79127669

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide?
The IUPAC name of 2-(4-amino-3-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide (CID 79128325) is 2-(4-amino-3-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide.
What is the SMILES notation for 2-(4-amino-3-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide?
The canonical SMILES for 2-(4-amino-3-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide is Cc1cc(SCC(=O)Nc2ccc(C#N)cc2)ccc1N.
What is the InChIKey of 2-(4-amino-3-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide?
The InChIKey is NKTJBHMGDTUGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-11-8-14(6-7-15(11)18)21-10-16(20)19-13-4-2-12(9-17)3-5-13/h2-8H,10,18H2,1H3,(H,19,20).
What are the key properties of 2-(4-amino-3-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide?
2-(4-amino-3-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide has a molecular weight of 297.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide is sourced from PubChem (CID 79128325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).