N,N-diethyl-2-fluoro-2-phenylsulfanylpropanamide

C13H18FNOS — CID 10868878

IUPACN,N-diethyl-2-fluoro-2-phenylsulfanylpropanamide
SMILESCCN(CC)C(=O)C(C)(F)Sc1ccccc1
InChIInChI=1S/C13H18FNOS/c1-4-15(5-2)12(16)13(3,14)17-11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3
InChIKeySYFNFSWQATYZKW-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.33
Rot. Bonds5

About N,N-diethyl-2-fluoro-2-phenylsulfanylpropanamide

N,N-diethyl-2-fluoro-2-phenylsulfanylpropanamide (PubChem CID 10868878) has the molecular formula C13H18FNOS and a molecular weight of 255.36 g/mol. Its IUPAC name is N,N-diethyl-2-fluoro-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN,N-diethyl-2-fluoro-2-phenylsulfanylpropanamide
PubChem CID10868878
Molecular FormulaC13H18FNOS
Molecular Weight255.36 g/mol
Exact Mass255.11
IUPAC NameN,N-diethyl-2-fluoro-2-phenylsulfanylpropanamide
SMILESCCN(CC)C(=O)C(C)(F)Sc1ccccc1
InChIInChI=1S/C13H18FNOS/c1-4-15(5-2)12(16)13(3,14)17-11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3
InChIKeySYFNFSWQATYZKW-UHFFFAOYSA-N
XLogP3.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-(Phenylthio)ethyl)acetamide
CID 13250272
1-Methyl-4-[(phenylthio)acetyl]-1,4-diazepane
CID 6467918
3-(Phenylthio)-1-(1-pyrrolidinyl)-1-propanone
CID 3316051
4-(2-Phenylsulfanylethyl)-1-propyl-1,4-diazepan-5-one
CID 24761287
1-Methyl-4-(2-phenylsulfanylethyl)-1,4-diazepan-5-one
CID 24761289
AC1Lgqzx
CID 875426
2-(4-fluorophenyl)sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 51072581
Carbamothioic acid, N,N-diethyl-, S-phenyl ester
CID 182687
Acetamide, 2-(phenylthio)-N-butyl-N-ethyl-
CID 2164695
2-(4-Fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 2200156
n-(2-Cyanoethyl)-2-((2,5-difluorophenyl)thio)-N-methylacetamide
CID 43395533
3-Phenylsulfanyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
CID 45505203

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-fluoro-2-phenylsulfanylpropanamide?
The IUPAC name of N,N-diethyl-2-fluoro-2-phenylsulfanylpropanamide (CID 10868878) is N,N-diethyl-2-fluoro-2-phenylsulfanylpropanamide.
What is the SMILES notation for N,N-diethyl-2-fluoro-2-phenylsulfanylpropanamide?
The canonical SMILES for N,N-diethyl-2-fluoro-2-phenylsulfanylpropanamide is CCN(CC)C(=O)C(C)(F)Sc1ccccc1.
What is the InChIKey of N,N-diethyl-2-fluoro-2-phenylsulfanylpropanamide?
The InChIKey is SYFNFSWQATYZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNOS/c1-4-15(5-2)12(16)13(3,14)17-11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-2-fluoro-2-phenylsulfanylpropanamide?
N,N-diethyl-2-fluoro-2-phenylsulfanylpropanamide has a molecular weight of 255.36 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-fluoro-2-phenylsulfanylpropanamide is sourced from PubChem (CID 10868878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).