N-[2-(difluoromethylsulfanyl)phenyl]-2-sulfanylpropanamide

C10H11F2NOS2 — CID 107020226

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-2-sulfanylpropanamide
SMILESCC(S)C(=O)Nc1ccccc1SC(F)F
InChIInChI=1S/C10H11F2NOS2/c1-6(15)9(14)13-7-4-2-3-5-8(7)16-10(11)12/h2-6,10,15H,1H3,(H,13,14)
InChIKeyPQFQNTPHYMYCSL-UHFFFAOYSA-N
MW263.33 g/mol
LogP3.26
Rot. Bonds4

About N-[2-(difluoromethylsulfanyl)phenyl]-2-sulfanylpropanamide

N-[2-(difluoromethylsulfanyl)phenyl]-2-sulfanylpropanamide (PubChem CID 107020226) has the molecular formula C10H11F2NOS2 and a molecular weight of 263.33 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-2-sulfanylpropanamide
PubChem CID107020226
Molecular FormulaC10H11F2NOS2
Molecular Weight263.33 g/mol
Exact Mass263.03
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-2-sulfanylpropanamide
SMILESCC(S)C(=O)Nc1ccccc1SC(F)F
InChIInChI=1S/C10H11F2NOS2/c1-6(15)9(14)13-7-4-2-3-5-8(7)16-10(11)12/h2-6,10,15H,1H3,(H,13,14)
InChIKeyPQFQNTPHYMYCSL-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-[2-(difluoromethylsulfanyl)anilino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496077
1-[2-(difluoromethylsulfanyl)phenyl]-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 94818398
1-[2-(difluoromethylsulfanyl)phenyl]-3-pentan-2-ylurea
CID 47032909
2-(aminomethyl)-N-[2-(difluoromethylsulfanyl)phenyl]butanamide
CID 65225730
N-[2-(difluoromethylsulfanyl)phenyl]prop-2-enamide
CID 43616310
N-[2-(difluoromethylsulfanyl)phenyl]but-2-enamide
CID 78906718
2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 63678703
N-[2-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide
CID 52896199
2-amino-N-[2-(difluoromethylsulfanyl)phenyl]-4-methylsulfonylbutanamide
CID 43105636
N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-ethylanilino)acetamide
CID 24510717
1-[2-(difluoromethylsulfanyl)phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 110890916
2-(difluoromethylsulfanyl)-N-methylaniline
CID 28573572

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-sulfanylpropanamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-sulfanylpropanamide (CID 107020226) is N-[2-(difluoromethylsulfanyl)phenyl]-2-sulfanylpropanamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-2-sulfanylpropanamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-2-sulfanylpropanamide is CC(S)C(=O)Nc1ccccc1SC(F)F.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-2-sulfanylpropanamide?
The InChIKey is PQFQNTPHYMYCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NOS2/c1-6(15)9(14)13-7-4-2-3-5-8(7)16-10(11)12/h2-6,10,15H,1H3,(H,13,14).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-2-sulfanylpropanamide?
N-[2-(difluoromethylsulfanyl)phenyl]-2-sulfanylpropanamide has a molecular weight of 263.33 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-2-sulfanylpropanamide is sourced from PubChem (CID 107020226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).