N-carbamoyl-3-[1-(3-fluorophenyl)ethylsulfanyl]propanamide

C12H15FN2O2S — CID 47321656

IUPACN-carbamoyl-3-[1-(3-fluorophenyl)ethylsulfanyl]propanamide
SMILESCC(SCCC(=O)NC(N)=O)c1cccc(F)c1
InChIInChI=1S/C12H15FN2O2S/c1-8(9-3-2-4-10(13)7-9)18-6-5-11(16)15-12(14)17/h2-4,7-8H,5-6H2,1H3,(H3,14,15,16,17)
InChIKeyKIRGGCRWRKYAGD-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.20
Rot. Bonds5

About N-carbamoyl-3-[1-(3-fluorophenyl)ethylsulfanyl]propanamide

N-carbamoyl-3-[1-(3-fluorophenyl)ethylsulfanyl]propanamide (PubChem CID 47321656) has the molecular formula C12H15FN2O2S and a molecular weight of 270.33 g/mol. Its IUPAC name is N-carbamoyl-3-[1-(3-fluorophenyl)ethylsulfanyl]propanamide.

Molecular Properties

Compound NameN-carbamoyl-3-[1-(3-fluorophenyl)ethylsulfanyl]propanamide
PubChem CID47321656
Molecular FormulaC12H15FN2O2S
Molecular Weight270.33 g/mol
Exact Mass270.08
IUPAC NameN-carbamoyl-3-[1-(3-fluorophenyl)ethylsulfanyl]propanamide
SMILESCC(SCCC(=O)NC(N)=O)c1cccc(F)c1
InChIInChI=1S/C12H15FN2O2S/c1-8(9-3-2-4-10(13)7-9)18-6-5-11(16)15-12(14)17/h2-4,7-8H,5-6H2,1H3,(H3,14,15,16,17)
InChIKeyKIRGGCRWRKYAGD-UHFFFAOYSA-N
XLogP2.20
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591982
N-(ethylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide
CID 2999687
N-(tert-butylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 2498564
N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 2998998
(S)-5-Methyl-5-(phenylmethylthiomethyl)-2,4-imidazolidinedione
CID 24751889
N-carbamoyl-2-(4-fluorophenyl)sulfanylpropanamide
CID 3623171
N-carbamoyl-3-[1-(2,6-difluorophenyl)ethylsulfanyl]propanamide
CID 47321650
N-carbamoyl-3-[1-(2-fluorophenyl)ethylsulfanyl]propanamide
CID 47321719
N-carbamoyl-3-[1-(2,4-difluorophenyl)ethylsulfanyl]propanamide
CID 47359446
2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-(ethylcarbamoyl)acetamide
CID 47408792
N-(ethylcarbamoyl)-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide
CID 49154270
2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(methylcarbamoyl)acetamide
CID 49154329

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-[1-(3-fluorophenyl)ethylsulfanyl]propanamide?
The IUPAC name of N-carbamoyl-3-[1-(3-fluorophenyl)ethylsulfanyl]propanamide (CID 47321656) is N-carbamoyl-3-[1-(3-fluorophenyl)ethylsulfanyl]propanamide.
What is the SMILES notation for N-carbamoyl-3-[1-(3-fluorophenyl)ethylsulfanyl]propanamide?
The canonical SMILES for N-carbamoyl-3-[1-(3-fluorophenyl)ethylsulfanyl]propanamide is CC(SCCC(=O)NC(N)=O)c1cccc(F)c1.
What is the InChIKey of N-carbamoyl-3-[1-(3-fluorophenyl)ethylsulfanyl]propanamide?
The InChIKey is KIRGGCRWRKYAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2S/c1-8(9-3-2-4-10(13)7-9)18-6-5-11(16)15-12(14)17/h2-4,7-8H,5-6H2,1H3,(H3,14,15,16,17).
What are the key properties of N-carbamoyl-3-[1-(3-fluorophenyl)ethylsulfanyl]propanamide?
N-carbamoyl-3-[1-(3-fluorophenyl)ethylsulfanyl]propanamide has a molecular weight of 270.33 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-[1-(3-fluorophenyl)ethylsulfanyl]propanamide is sourced from PubChem (CID 47321656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).