N-carbamoyl-2-(4-fluorophenyl)sulfanylpropanamide

C10H11FN2O2S — CID 3623171

IUPACN-carbamoyl-2-(4-fluorophenyl)sulfanylpropanamide
SMILESCC(Sc1ccc(F)cc1)C(=O)NC(N)=O
InChIInChI=1S/C10H11FN2O2S/c1-6(9(14)13-10(12)15)16-8-4-2-7(11)3-5-8/h2-6H,1H3,(H3,12,13,14,15)
InChIKeyAOQHAFWZSTVLPB-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.50
Rot. Bonds3

About N-carbamoyl-2-(4-fluorophenyl)sulfanylpropanamide

N-carbamoyl-2-(4-fluorophenyl)sulfanylpropanamide (PubChem CID 3623171) has the molecular formula C10H11FN2O2S and a molecular weight of 242.28 g/mol. Its IUPAC name is N-carbamoyl-2-(4-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(4-fluorophenyl)sulfanylpropanamide
PubChem CID3623171
Molecular FormulaC10H11FN2O2S
Molecular Weight242.28 g/mol
Exact Mass242.05
IUPAC NameN-carbamoyl-2-(4-fluorophenyl)sulfanylpropanamide
SMILESCC(Sc1ccc(F)cc1)C(=O)NC(N)=O
InChIInChI=1S/C10H11FN2O2S/c1-6(9(14)13-10(12)15)16-8-4-2-7(11)3-5-8/h2-6H,1H3,(H3,12,13,14,15)
InChIKeyAOQHAFWZSTVLPB-UHFFFAOYSA-N
XLogP1.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-carbamoyl-2-phenylsulfanylacetamide
CID 2470668
2-[(4-Fluorophenyl)thio]acetamide
CID 2407366
2-(2-fluorophenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
CID 2591492
N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591666
N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 2998998
N-(cyclopentylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591620
1-[2-(2,5-Difluorophenyl)sulfanylpropanoyl]imidazolidin-2-one
CID 18092258
N-carbamoyl-3-[1-(2,6-difluorophenyl)ethylsulfanyl]propanamide
CID 47321650
N-carbamoyl-3-[1-(3-fluorophenyl)ethylsulfanyl]propanamide
CID 47321656
N-carbamoyl-3-[1-(2-fluorophenyl)ethylsulfanyl]propanamide
CID 47321719
N-carbamoyl-3-[1-(2,4-difluorophenyl)ethylsulfanyl]propanamide
CID 47359446
N-carbamoyl-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide
CID 49154336

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(4-fluorophenyl)sulfanylpropanamide?
The IUPAC name of N-carbamoyl-2-(4-fluorophenyl)sulfanylpropanamide (CID 3623171) is N-carbamoyl-2-(4-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-carbamoyl-2-(4-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for N-carbamoyl-2-(4-fluorophenyl)sulfanylpropanamide is CC(Sc1ccc(F)cc1)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-(4-fluorophenyl)sulfanylpropanamide?
The InChIKey is AOQHAFWZSTVLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2S/c1-6(9(14)13-10(12)15)16-8-4-2-7(11)3-5-8/h2-6H,1H3,(H3,12,13,14,15).
What are the key properties of N-carbamoyl-2-(4-fluorophenyl)sulfanylpropanamide?
N-carbamoyl-2-(4-fluorophenyl)sulfanylpropanamide has a molecular weight of 242.28 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(4-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 3623171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).