N-(cyclopentylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide

C14H17FN2O2S — CID 2591620

IUPACN-(cyclopentylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccccc1F)NC(=O)NC1CCCC1
InChIInChI=1S/C14H17FN2O2S/c15-11-7-3-4-8-12(11)20-9-13(18)17-14(19)16-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H2,16,17,18,19)
InChIKeyLWYNBBMRYQCLGH-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.69
Rot. Bonds4

About N-(cyclopentylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide

N-(cyclopentylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide (PubChem CID 2591620) has the molecular formula C14H17FN2O2S and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide
PubChem CID2591620
Molecular FormulaC14H17FN2O2S
Molecular Weight296.37 g/mol
Exact Mass296.10
IUPAC NameN-(cyclopentylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccccc1F)NC(=O)NC1CCCC1
InChIInChI=1S/C14H17FN2O2S/c15-11-7-3-4-8-12(11)20-9-13(18)17-14(19)16-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H2,16,17,18,19)
InChIKeyLWYNBBMRYQCLGH-UHFFFAOYSA-N
XLogP2.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-3-phenylthiopropanamide
CID 875577
2-(2-fluorophenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
CID 2591492
N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591666
N-cyclohexyl-2-[(4-fluorophenyl)sulfanyl]acetamide
CID 893674
2-(4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
CID 2627962
N-carbamoyl-2-(4-fluorophenyl)sulfanylpropanamide
CID 3623171
N-cyclopentyl-2-(4-fluorophenyl)sulfanylacetamide
CID 4640800
1-[2-(2,5-Difluorophenyl)sulfanylpropanoyl]imidazolidin-2-one
CID 18092258
2-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-oxoazetidine-1-carboxamide
CID 118726249
2-(2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 2591618
2-(4-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 16504454
N-(ethylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 16504456

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide (CID 2591620) is N-(cyclopentylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide is O=C(CSc1ccccc1F)NC(=O)NC1CCCC1.
What is the InChIKey of N-(cyclopentylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide?
The InChIKey is LWYNBBMRYQCLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S/c15-11-7-3-4-8-12(11)20-9-13(18)17-14(19)16-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H2,16,17,18,19).
What are the key properties of N-(cyclopentylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide?
N-(cyclopentylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide has a molecular weight of 296.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 2591620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).