2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide

C15H12FN3OS — CID 79127543

IUPAC2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide
SMILESN#Cc1ccccc1NC(=O)CSc1cc(F)ccc1N
InChIInChI=1S/C15H12FN3OS/c16-11-5-6-12(18)14(7-11)21-9-15(20)19-13-4-2-1-3-10(13)8-17/h1-7H,9,18H2,(H,19,20)
InChIKeyRJMJWMPSZFDWMZ-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.01
Rot. Bonds4

About 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide

2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide (PubChem CID 79127543) has the molecular formula C15H12FN3OS and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide
PubChem CID79127543
Molecular FormulaC15H12FN3OS
Molecular Weight301.35 g/mol
Exact Mass301.07
IUPAC Name2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide
SMILESN#Cc1ccccc1NC(=O)CSc1cc(F)ccc1N
InChIInChI=1S/C15H12FN3OS/c16-11-5-6-12(18)14(7-11)21-9-15(20)19-13-4-2-1-3-10(13)8-17/h1-7H,9,18H2,(H,19,20)
InChIKeyRJMJWMPSZFDWMZ-UHFFFAOYSA-N
XLogP3.01
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.01
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-(2-amino-5-fluorophenyl)sulfanyl-N-(4-cyanophenyl)acetamide
CID 79128503
N-(2-aminophenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 43345463
2-(2-chlorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide
CID 2390775
2-(2-aminophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide
CID 43249156
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,4-dibromophenyl)acetamide
CID 79126805
2-[(2-amino-5-fluorophenyl)sulfanylmethyl]benzonitrile
CID 79148127
N-(2-amino-4-fluorophenyl)-2-(2,5-difluorophenyl)sulfanylacetamide
CID 43519004
N-(2-cyanophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109011065
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 79126482
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 79128006
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide
CID 79126919
N-(2-cyanophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2708526

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide?
The IUPAC name of 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide (CID 79127543) is 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide.
What is the SMILES notation for 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide?
The canonical SMILES for 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide is N#Cc1ccccc1NC(=O)CSc1cc(F)ccc1N.
What is the InChIKey of 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide?
The InChIKey is RJMJWMPSZFDWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3OS/c16-11-5-6-12(18)14(7-11)21-9-15(20)19-13-4-2-1-3-10(13)8-17/h1-7H,9,18H2,(H,19,20).
What are the key properties of 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide?
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide has a molecular weight of 301.35 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide is sourced from PubChem (CID 79127543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).