N-(ethylcarbamoyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanylacetamide

C13H17FN2O2S — CID 94217661

IUPACN-(ethylcarbamoyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanylacetamide
SMILESCCNC(=O)NC(=O)CS[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O2S/c1-3-15-13(18)16-12(17)8-19-9(2)10-4-6-11(14)7-5-10/h4-7,9H,3,8H2,1-2H3,(H2,15,16,17,18)/t9-/m0/s1
InChIKeyXLXDCSFAUQIIDU-VIFPVBQESA-N
MW284.36 g/mol
LogP2.47
Rot. Bonds5

About N-(ethylcarbamoyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanylacetamide

N-(ethylcarbamoyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanylacetamide (PubChem CID 94217661) has the molecular formula C13H17FN2O2S and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanylacetamide
PubChem CID94217661
Molecular FormulaC13H17FN2O2S
Molecular Weight284.36 g/mol
Exact Mass284.10
IUPAC NameN-(ethylcarbamoyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanylacetamide
SMILESCCNC(=O)NC(=O)CS[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O2S/c1-3-15-13(18)16-12(17)8-19-9(2)10-4-6-11(14)7-5-10/h4-7,9H,3,8H2,1-2H3,(H2,15,16,17,18)/t9-/m0/s1
InChIKeyXLXDCSFAUQIIDU-VIFPVBQESA-N
XLogP2.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanylacetamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanylacetamide (CID 94217661) is N-(ethylcarbamoyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanylacetamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanylacetamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanylacetamide is CCNC(=O)NC(=O)CS[C@@H](C)c1ccc(F)cc1.
What is the InChIKey of N-(ethylcarbamoyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanylacetamide?
The InChIKey is XLXDCSFAUQIIDU-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17FN2O2S/c1-3-15-13(18)16-12(17)8-19-9(2)10-4-6-11(14)7-5-10/h4-7,9H,3,8H2,1-2H3,(H2,15,16,17,18)/t9-/m0/s1.
What are the key properties of N-(ethylcarbamoyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanylacetamide?
N-(ethylcarbamoyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanylacetamide has a molecular weight of 284.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanylacetamide is sourced from PubChem (CID 94217661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).