N,N-diethyl-2-(4-fluorophenyl)sulfinylpropanamide

C13H18FNO2S — CID 63793163

IUPACN,N-diethyl-2-(4-fluorophenyl)sulfinylpropanamide
SMILESCCN(CC)C(=O)C(C)S(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2S/c1-4-15(5-2)13(16)10(3)18(17)12-8-6-11(14)7-9-12/h6-10H,4-5H2,1-3H3
InChIKeyCANCWMLFRVAOAV-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.19
Rot. Bonds5

About N,N-diethyl-2-(4-fluorophenyl)sulfinylpropanamide

N,N-diethyl-2-(4-fluorophenyl)sulfinylpropanamide (PubChem CID 63793163) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is N,N-diethyl-2-(4-fluorophenyl)sulfinylpropanamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-fluorophenyl)sulfinylpropanamide
PubChem CID63793163
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC NameN,N-diethyl-2-(4-fluorophenyl)sulfinylpropanamide
SMILESCCN(CC)C(=O)C(C)S(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2S/c1-4-15(5-2)13(16)10(3)18(17)12-8-6-11(14)7-9-12/h6-10H,4-5H2,1-3H3
InChIKeyCANCWMLFRVAOAV-UHFFFAOYSA-N
XLogP2.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-one
CID 64635745
2-(4-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide
CID 63792090
2-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide
CID 63791044
N,N-diethyl-2-[1-(4-fluorophenyl)propan-2-ylamino]propanamide
CID 62996918
N-ethyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 91015016
N,N-diethyl-2-[(4-fluorophenyl)methylamino]propanamide
CID 43112620
(2S)-N,N-diethyl-2-(4-fluorophenoxy)butanamide
CID 94016182
ethyl 2-(4-fluorophenyl)sulfinylbutanoate
CID 64661886
1-fluoro-4-[(1S)-1-[(R)-(4-fluorophenyl)sulfinyl]ethyl]benzene
CID 139197607
N,N-diethyl-2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide
CID 111109173
2-[(4-fluorophenyl)sulfinyl-propan-2-ylamino]acetic acid
CID 90165897
N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60794877

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-fluorophenyl)sulfinylpropanamide?
The IUPAC name of N,N-diethyl-2-(4-fluorophenyl)sulfinylpropanamide (CID 63793163) is N,N-diethyl-2-(4-fluorophenyl)sulfinylpropanamide.
What is the SMILES notation for N,N-diethyl-2-(4-fluorophenyl)sulfinylpropanamide?
The canonical SMILES for N,N-diethyl-2-(4-fluorophenyl)sulfinylpropanamide is CCN(CC)C(=O)C(C)S(=O)c1ccc(F)cc1.
What is the InChIKey of N,N-diethyl-2-(4-fluorophenyl)sulfinylpropanamide?
The InChIKey is CANCWMLFRVAOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-4-15(5-2)13(16)10(3)18(17)12-8-6-11(14)7-9-12/h6-10H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-2-(4-fluorophenyl)sulfinylpropanamide?
N,N-diethyl-2-(4-fluorophenyl)sulfinylpropanamide has a molecular weight of 271.36 g/mol, XLogP of 2.19, 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-(4-fluorophenyl)sulfinylpropanamide is sourced from PubChem (CID 63793163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).