2,2-difluoro-N-(2-phenylsulfanylethyl)acetamide

C10H11F2NOS — CID 103603525

IUPAC2,2-difluoro-N-(2-phenylsulfanylethyl)acetamide
SMILESO=C(NCCSc1ccccc1)C(F)F
InChIInChI=1S/C10H11F2NOS/c11-9(12)10(14)13-6-7-15-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)
InChIKeyXNUDBZASZTZMRN-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.16
Rot. Bonds5

About 2,2-difluoro-N-(2-phenylsulfanylethyl)acetamide

2,2-difluoro-N-(2-phenylsulfanylethyl)acetamide (PubChem CID 103603525) has the molecular formula C10H11F2NOS and a molecular weight of 231.27 g/mol. Its IUPAC name is 2,2-difluoro-N-(2-phenylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(2-phenylsulfanylethyl)acetamide
PubChem CID103603525
Molecular FormulaC10H11F2NOS
Molecular Weight231.27 g/mol
Exact Mass231.05
IUPAC Name2,2-difluoro-N-(2-phenylsulfanylethyl)acetamide
SMILESO=C(NCCSc1ccccc1)C(F)F
InChIInChI=1S/C10H11F2NOS/c11-9(12)10(14)13-6-7-15-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)
InChIKeyXNUDBZASZTZMRN-UHFFFAOYSA-N
XLogP2.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(2-phenylsulfanylethyl)propanamide;hydrochloride
CID 119272241
(2R)-2-phenoxy-N-(2-phenylsulfanylethyl)propanamide
CID 31790666
2-amino-4-methyl-N-(2-phenylsulfanylethyl)pentanamide
CID 54881057
2-amino-N-(2-phenylsulfanylethyl)pentanamide;hydrochloride
CID 119272252
(2R)-2-(4-methylphenyl)sulfanyl-N-(2-phenylsulfanylethyl)propanamide
CID 9483097
2-amino-N-(2-phenylsulfanylethyl)hexanamide
CID 54881069
4-oxo-4-(2-phenylsulfanylethylamino)butanoic acid
CID 54881086
2-(2-hydroxyphenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide
CID 62000718
(2S)-2-(4-methylphenoxy)-N-(2-phenylsulfanylethyl)propanamide
CID 9173169
2-(2,5-difluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide
CID 9483105
(2R)-2-(4-methylphenoxy)-N-(2-phenylsulfanylethyl)propanamide
CID 9173170
1,3-bis(2-phenylsulfanylethyl)thiourea
CID 9284073

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(2-phenylsulfanylethyl)acetamide?
The IUPAC name of 2,2-difluoro-N-(2-phenylsulfanylethyl)acetamide (CID 103603525) is 2,2-difluoro-N-(2-phenylsulfanylethyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(2-phenylsulfanylethyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(2-phenylsulfanylethyl)acetamide is O=C(NCCSc1ccccc1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(2-phenylsulfanylethyl)acetamide?
The InChIKey is XNUDBZASZTZMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NOS/c11-9(12)10(14)13-6-7-15-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14).
What are the key properties of 2,2-difluoro-N-(2-phenylsulfanylethyl)acetamide?
2,2-difluoro-N-(2-phenylsulfanylethyl)acetamide has a molecular weight of 231.27 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(2-phenylsulfanylethyl)acetamide is sourced from PubChem (CID 103603525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).