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

C16H15N3OS — CID 43302970

IUPAC2-(4-amino-2-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide
SMILESCc1cc(N)ccc1SCC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H15N3OS/c1-11-8-13(18)4-7-15(11)21-10-16(20)19-14-5-2-12(9-17)3-6-14/h2-8H,10,18H2,1H3,(H,19,20)
InChIKeyDTVTUHAUEOMMDZ-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.18
Rot. Bonds4

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

2-(4-amino-2-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide (PubChem CID 43302970) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(4-amino-2-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-2-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide
PubChem CID43302970
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name2-(4-amino-2-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide
SMILESCc1cc(N)ccc1SCC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H15N3OS/c1-11-8-13(18)4-7-15(11)21-10-16(20)19-14-5-2-12(9-17)3-6-14/h2-8H,10,18H2,1H3,(H,19,20)
InChIKeyDTVTUHAUEOMMDZ-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-(4-cyanophenyl)acetamide
CID 79128325
2-(2-amino-5-fluorophenyl)sulfanyl-N-(4-cyanophenyl)acetamide
CID 79128503
2-(5-amino-2-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 79141243
2-(4-amino-2-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 43303862
N'-acetyl-2-(4-amino-2-methylphenyl)sulfanylacetohydrazide
CID 43302863
2-(4-amino-2-methylphenyl)sulfanyl-N-(4-bromo-2-methylphenyl)acetamide
CID 43303062
2-(4-amino-2-methylphenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide
CID 43302965
5-amino-N-(4-cyanophenyl)-2-methylbenzamide
CID 61291527
N-(4-cyanophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 17453263
ethyl N-[2-(4-amino-2-methylphenyl)sulfanylacetyl]carbamate
CID 43303038
2-(4-cyano-2-methylphenyl)sulfanylacetic acid
CID 60930017
2-(4-amino-2-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 43302977

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide?
The IUPAC name of 2-(4-amino-2-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide (CID 43302970) is 2-(4-amino-2-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide.
What is the SMILES notation for 2-(4-amino-2-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide?
The canonical SMILES for 2-(4-amino-2-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide is Cc1cc(N)ccc1SCC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-amino-2-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide?
The InChIKey is DTVTUHAUEOMMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-11-8-13(18)4-7-15(11)21-10-16(20)19-14-5-2-12(9-17)3-6-14/h2-8H,10,18H2,1H3,(H,19,20).
What are the key properties of 2-(4-amino-2-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide?
2-(4-amino-2-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-2-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide is sourced from PubChem (CID 43302970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).