2-(5-amino-2-methylphenyl)sulfanyl-N-(2-chloro-4-fluorophenyl)acetamide

C15H14ClFN2OS — CID 79130440

IUPAC2-(5-amino-2-methylphenyl)sulfanyl-N-(2-chloro-4-fluorophenyl)acetamide
SMILESCc1ccc(N)cc1SCC(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C15H14ClFN2OS/c1-9-2-4-11(18)7-14(9)21-8-15(20)19-13-5-3-10(17)6-12(13)16/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyNIEMDSSLNLUYNT-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.10
Rot. Bonds4

About 2-(5-amino-2-methylphenyl)sulfanyl-N-(2-chloro-4-fluorophenyl)acetamide

2-(5-amino-2-methylphenyl)sulfanyl-N-(2-chloro-4-fluorophenyl)acetamide (PubChem CID 79130440) has the molecular formula C15H14ClFN2OS and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-(5-amino-2-methylphenyl)sulfanyl-N-(2-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2-methylphenyl)sulfanyl-N-(2-chloro-4-fluorophenyl)acetamide
PubChem CID79130440
Molecular FormulaC15H14ClFN2OS
Molecular Weight324.81 g/mol
Exact Mass324.05
IUPAC Name2-(5-amino-2-methylphenyl)sulfanyl-N-(2-chloro-4-fluorophenyl)acetamide
SMILESCc1ccc(N)cc1SCC(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C15H14ClFN2OS/c1-9-2-4-11(18)7-14(9)21-8-15(20)19-13-5-3-10(17)6-12(13)16/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyNIEMDSSLNLUYNT-UHFFFAOYSA-N
XLogP4.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.10
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

N-(2-chloro-4-fluorophenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 2708633
2-(4-amino-3-methylphenyl)sulfanyl-N-(2-chloro-4-fluorophenyl)acetamide
CID 79127531
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 79128006
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 43301227
2-(2-chlorophenyl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide
CID 31456340
N-(2-chloro-4-fluorophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide
CID 7810086
2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-bromo-2-chlorophenyl)acetamide
CID 43304005
2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-chloro-2-methylphenyl)acetamide
CID 43304145
N-(2-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616242
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 79127095
2-(5-amino-2-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 79141243
N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 60891052

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methylphenyl)sulfanyl-N-(2-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-(5-amino-2-methylphenyl)sulfanyl-N-(2-chloro-4-fluorophenyl)acetamide (CID 79130440) is 2-(5-amino-2-methylphenyl)sulfanyl-N-(2-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(5-amino-2-methylphenyl)sulfanyl-N-(2-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-(5-amino-2-methylphenyl)sulfanyl-N-(2-chloro-4-fluorophenyl)acetamide is Cc1ccc(N)cc1SCC(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of 2-(5-amino-2-methylphenyl)sulfanyl-N-(2-chloro-4-fluorophenyl)acetamide?
The InChIKey is NIEMDSSLNLUYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2OS/c1-9-2-4-11(18)7-14(9)21-8-15(20)19-13-5-3-10(17)6-12(13)16/h2-7H,8,18H2,1H3,(H,19,20).
What are the key properties of 2-(5-amino-2-methylphenyl)sulfanyl-N-(2-chloro-4-fluorophenyl)acetamide?
2-(5-amino-2-methylphenyl)sulfanyl-N-(2-chloro-4-fluorophenyl)acetamide has a molecular weight of 324.81 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-methylphenyl)sulfanyl-N-(2-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 79130440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).