4-(5-ethyl-2-fluorophenyl)sulfanyl-N-formylpentanamide

C14H18FNO2S — CID 170951735

IUPAC4-(5-ethyl-2-fluorophenyl)sulfanyl-N-formylpentanamide
SMILESCCc1ccc(F)c(SC(C)CCC(=O)NC=O)c1
InChIInChI=1S/C14H18FNO2S/c1-3-11-5-6-12(15)13(8-11)19-10(2)4-7-14(18)16-9-17/h5-6,8-10H,3-4,7H2,1-2H3,(H,16,17,18)
InChIKeyDMSJOFVNJOSLPL-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.92
Rot. Bonds7

About 4-(5-ethyl-2-fluorophenyl)sulfanyl-N-formylpentanamide

4-(5-ethyl-2-fluorophenyl)sulfanyl-N-formylpentanamide (PubChem CID 170951735) has the molecular formula C14H18FNO2S and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-(5-ethyl-2-fluorophenyl)sulfanyl-N-formylpentanamide.

Molecular Properties

Compound Name4-(5-ethyl-2-fluorophenyl)sulfanyl-N-formylpentanamide
PubChem CID170951735
Molecular FormulaC14H18FNO2S
Molecular Weight283.37 g/mol
Exact Mass283.10
IUPAC Name4-(5-ethyl-2-fluorophenyl)sulfanyl-N-formylpentanamide
SMILESCCc1ccc(F)c(SC(C)CCC(=O)NC=O)c1
InChIInChI=1S/C14H18FNO2S/c1-3-11-5-6-12(15)13(8-11)19-10(2)4-7-14(18)16-9-17/h5-6,8-10H,3-4,7H2,1-2H3,(H,16,17,18)
InChIKeyDMSJOFVNJOSLPL-UHFFFAOYSA-N
XLogP2.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-difluoro-2-propylbenzene;N-formyl-4-methylpentanamide
CID 176935201
2-(3-ethylphenyl)-N-formylacetamide
CID 130010349
4-(3,4-difluorophenyl)sulfanylpentanehydrazide
CID 63582881
2-ethyl-1,3-difluorobenzene;N-formylpentanamide
CID 176933071
5-(4-fluorophenyl)-N-formylpentanamide
CID 145350810
ethane;4-(5-ethyl-1,3-dioxobenzo[de]isoquinolin-2-yl)-N-formylpentanamide
CID 156802752
1-(5-ethyl-2-fluorophenyl)propan-2-one
CID 117278354
S-[2-fluoro-5-(2-oxoethyl)phenyl] N,N-dimethylcarbamothioate
CID 89040567
N-(5-ethyl-2-fluorophenyl)-N-methylacetamide
CID 150244406
2-[4-(3,4-difluorophenyl)butanoylamino]pentanoic acid
CID 82224521
2,4-diethyl-1-fluorobenzene;ethane
CID 143588111
(2R)-2-[4-(3,4-difluorophenyl)butanoylamino]propanoic acid
CID 91645243

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-2-fluorophenyl)sulfanyl-N-formylpentanamide?
The IUPAC name of 4-(5-ethyl-2-fluorophenyl)sulfanyl-N-formylpentanamide (CID 170951735) is 4-(5-ethyl-2-fluorophenyl)sulfanyl-N-formylpentanamide.
What is the SMILES notation for 4-(5-ethyl-2-fluorophenyl)sulfanyl-N-formylpentanamide?
The canonical SMILES for 4-(5-ethyl-2-fluorophenyl)sulfanyl-N-formylpentanamide is CCc1ccc(F)c(SC(C)CCC(=O)NC=O)c1.
What is the InChIKey of 4-(5-ethyl-2-fluorophenyl)sulfanyl-N-formylpentanamide?
The InChIKey is DMSJOFVNJOSLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2S/c1-3-11-5-6-12(15)13(8-11)19-10(2)4-7-14(18)16-9-17/h5-6,8-10H,3-4,7H2,1-2H3,(H,16,17,18).
What are the key properties of 4-(5-ethyl-2-fluorophenyl)sulfanyl-N-formylpentanamide?
4-(5-ethyl-2-fluorophenyl)sulfanyl-N-formylpentanamide has a molecular weight of 283.37 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-2-fluorophenyl)sulfanyl-N-formylpentanamide is sourced from PubChem (CID 170951735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).