2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide

C15H14F2N2OS — CID 79128105

IUPAC2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide
SMILESCc1ccc(N)c(SCC(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H14F2N2OS/c1-9-2-5-13(18)14(6-9)21-8-15(20)19-10-3-4-11(16)12(17)7-10/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyKIQQCVIPPIQOKL-UHFFFAOYSA-N
MW308.35 g/mol
LogP3.59
Rot. Bonds4

About 2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide

2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide (PubChem CID 79128105) has the molecular formula C15H14F2N2OS and a molecular weight of 308.35 g/mol. Its IUPAC name is 2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide
PubChem CID79128105
Molecular FormulaC15H14F2N2OS
Molecular Weight308.35 g/mol
Exact Mass308.08
IUPAC Name2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide
SMILESCc1ccc(N)c(SCC(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H14F2N2OS/c1-9-2-5-13(18)14(6-9)21-8-15(20)19-10-3-4-11(16)12(17)7-10/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyKIQQCVIPPIQOKL-UHFFFAOYSA-N
XLogP3.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 79126902
2-(2-amino-5-methylphenyl)sulfanyl-N-(3-chlorophenyl)acetamide
CID 79142033
2-(2-amino-5-methylphenyl)sulfanyl-N-(3-bromophenyl)acetamide
CID 79142821
2-(5-amino-2-chlorophenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide
CID 79128069
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 79127095
2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 43304409
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide
CID 79126919
2-(4-amino-2-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 43303862
2-(2-amino-5-methylphenyl)sulfanyl-N-ethylacetamide
CID 79142549
N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 43345163
N-(3,4-difluorophenyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]acetamide
CID 27772603
2-(2-amino-5-methylphenyl)sulfanyl-N-tert-butylacetamide
CID 79142290

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide (CID 79128105) is 2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide is Cc1ccc(N)c(SCC(=O)Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of 2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide?
The InChIKey is KIQQCVIPPIQOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2OS/c1-9-2-5-13(18)14(6-9)21-8-15(20)19-10-3-4-11(16)12(17)7-10/h2-7H,8,18H2,1H3,(H,19,20).
What are the key properties of 2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide?
2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide has a molecular weight of 308.35 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 79128105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).