2-(4-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide

C11H13FN2O2S — CID 16504454

IUPAC2-(4-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Sc1ccc(F)cc1
InChIInChI=1S/C11H13FN2O2S/c1-7(10(15)14-11(16)13-2)17-9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H2,13,14,15,16)
InChIKeyIOAMUSQOLFHWPN-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.76
Rot. Bonds3

About 2-(4-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide

2-(4-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide (PubChem CID 16504454) has the molecular formula C11H13FN2O2S and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
PubChem CID16504454
Molecular FormulaC11H13FN2O2S
Molecular Weight256.30 g/mol
Exact Mass256.07
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Sc1ccc(F)cc1
InChIInChI=1S/C11H13FN2O2S/c1-7(10(15)14-11(16)13-2)17-9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H2,13,14,15,16)
InChIKeyIOAMUSQOLFHWPN-UHFFFAOYSA-N
XLogP1.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide
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N-(methylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591984
N-(ethylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
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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
1-[2-(2,5-Difluorophenyl)sulfanylpropanoyl]imidazolidin-2-one
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3-(2-chlorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 36159872

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide (CID 16504454) is 2-(4-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)Sc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide?
The InChIKey is IOAMUSQOLFHWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2S/c1-7(10(15)14-11(16)13-2)17-9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide?
2-(4-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide has a molecular weight of 256.30 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 16504454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).