(2S)-N-(ethylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide

C12H15FN2O2S — CID 2639559

IUPAC(2S)-N-(ethylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide
SMILESCCNC(=O)NC(=O)[C@H](C)Sc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O2S/c1-3-14-12(17)15-11(16)8(2)18-10-6-4-9(13)5-7-10/h4-8H,3H2,1-2H3,(H2,14,15,16,17)/t8-/m0/s1
InChIKeyNHVVDGHXINLXBJ-QMMMGPOBSA-N
MW270.33 g/mol
LogP2.15
Rot. Bonds4

About (2S)-N-(ethylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide

(2S)-N-(ethylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide (PubChem CID 2639559) has the molecular formula C12H15FN2O2S and a molecular weight of 270.33 g/mol. Its IUPAC name is (2S)-N-(ethylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(ethylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide
PubChem CID2639559
Molecular FormulaC12H15FN2O2S
Molecular Weight270.33 g/mol
Exact Mass270.08
IUPAC Name(2S)-N-(ethylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide
SMILESCCNC(=O)NC(=O)[C@H](C)Sc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O2S/c1-3-14-12(17)15-11(16)8(2)18-10-6-4-9(13)5-7-10/h4-8H,3H2,1-2H3,(H2,14,15,16,17)/t8-/m0/s1
InChIKeyNHVVDGHXINLXBJ-QMMMGPOBSA-N
XLogP2.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-(Phenylthio)ethyl)acetamide
CID 13250272
N-carbamoyl-2-phenylsulfanylacetamide
CID 2470668
N-(propylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2592012
2-(2-fluorophenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
CID 2591492
N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591666
N-(methylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591984
N-(ethylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591998
6-Amino-5-(4-fluorophenyl)sulfanyl-1,3-dimethylpyrimidine-2,4-dione
CID 2331013
N-(cyclopentylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591620
1-[2-(4-Fluorophenyl)sulfanylethyl]-3-(2-hydroxyethyl)urea
CID 2826290
N-carbamoyl-2-(4-fluorophenyl)sulfanylpropanamide
CID 3623171
N-(2-cyanoethyl)-2-(2,5-difluorophenyl)sulfanylacetamide
CID 8200018

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(ethylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(ethylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide (CID 2639559) is (2S)-N-(ethylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(ethylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(ethylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide is CCNC(=O)NC(=O)[C@H](C)Sc1ccc(F)cc1.
What is the InChIKey of (2S)-N-(ethylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide?
The InChIKey is NHVVDGHXINLXBJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15FN2O2S/c1-3-14-12(17)15-11(16)8(2)18-10-6-4-9(13)5-7-10/h4-8H,3H2,1-2H3,(H2,14,15,16,17)/t8-/m0/s1.
What are the key properties of (2S)-N-(ethylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide?
(2S)-N-(ethylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide has a molecular weight of 270.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(ethylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 2639559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).