2-(2-amino-4-chloro-5-fluorophenyl)sulfanyl-N-propan-2-ylacetamide

C11H14ClFN2OS — CID 114233204

IUPAC2-(2-amino-4-chloro-5-fluorophenyl)sulfanyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1cc(F)c(Cl)cc1N
InChIInChI=1S/C11H14ClFN2OS/c1-6(2)15-11(16)5-17-10-4-8(13)7(12)3-9(10)14/h3-4,6H,5,14H2,1-2H3,(H,15,16)
InChIKeyMEPTYAZVVIQSCU-UHFFFAOYSA-N
MW276.76 g/mol
LogP2.68
Rot. Bonds4

About 2-(2-amino-4-chloro-5-fluorophenyl)sulfanyl-N-propan-2-ylacetamide

2-(2-amino-4-chloro-5-fluorophenyl)sulfanyl-N-propan-2-ylacetamide (PubChem CID 114233204) has the molecular formula C11H14ClFN2OS and a molecular weight of 276.76 g/mol. Its IUPAC name is 2-(2-amino-4-chloro-5-fluorophenyl)sulfanyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-chloro-5-fluorophenyl)sulfanyl-N-propan-2-ylacetamide
PubChem CID114233204
Molecular FormulaC11H14ClFN2OS
Molecular Weight276.76 g/mol
Exact Mass276.05
IUPAC Name2-(2-amino-4-chloro-5-fluorophenyl)sulfanyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1cc(F)c(Cl)cc1N
InChIInChI=1S/C11H14ClFN2OS/c1-6(2)15-11(16)5-17-10-4-8(13)7(12)3-9(10)14/h3-4,6H,5,14H2,1-2H3,(H,15,16)
InChIKeyMEPTYAZVVIQSCU-UHFFFAOYSA-N
XLogP2.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 52.68
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-chlorophenyl)sulfanyl-N-propan-2-ylacetamide
CID 79528068
ethyl 2-(2-amino-4-chloro-5-fluorophenyl)sulfanylacetate
CID 66078116
2-(2-amino-4-methylphenyl)sulfanyl-N-propan-2-ylacetamide
CID 43302733
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 112764226
methyl 4-amino-3-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate
CID 114234207
2-[2,6-difluoro-4-(hydroxymethyl)phenyl]sulfanyl-N-propan-2-ylacetamide
CID 114234861
2-(2-amino-5-chlorophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 79527977
2-(2-amino-4,5-difluorophenyl)sulfanyl-N,N-diethylacetamide
CID 112751943
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-propan-2-ylacetamide
CID 99824628
2-(2-amino-4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide
CID 43304215
2,4-dichloro-N-ethyl-5-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 46823565
N-(2-chloro-4-fluorophenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 55345757

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-chloro-5-fluorophenyl)sulfanyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-amino-4-chloro-5-fluorophenyl)sulfanyl-N-propan-2-ylacetamide (CID 114233204) is 2-(2-amino-4-chloro-5-fluorophenyl)sulfanyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-amino-4-chloro-5-fluorophenyl)sulfanyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-amino-4-chloro-5-fluorophenyl)sulfanyl-N-propan-2-ylacetamide is CC(C)NC(=O)CSc1cc(F)c(Cl)cc1N.
What is the InChIKey of 2-(2-amino-4-chloro-5-fluorophenyl)sulfanyl-N-propan-2-ylacetamide?
The InChIKey is MEPTYAZVVIQSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2OS/c1-6(2)15-11(16)5-17-10-4-8(13)7(12)3-9(10)14/h3-4,6H,5,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-amino-4-chloro-5-fluorophenyl)sulfanyl-N-propan-2-ylacetamide?
2-(2-amino-4-chloro-5-fluorophenyl)sulfanyl-N-propan-2-ylacetamide has a molecular weight of 276.76 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-chloro-5-fluorophenyl)sulfanyl-N-propan-2-ylacetamide is sourced from PubChem (CID 114233204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).