N-cyclopentyl-2-(3-fluoro-N-methylsulfonylanilino)acetamide

C14H19FN2O3S — CID 894153

IUPACN-cyclopentyl-2-(3-fluoro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NC1CCCC1)c1cccc(F)c1
InChIInChI=1S/C14H19FN2O3S/c1-21(19,20)17(13-8-4-5-11(15)9-13)10-14(18)16-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,16,18)
InChIKeyIOSPXDUSIXHGIW-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.65
Rot. Bonds5

About N-cyclopentyl-2-(3-fluoro-N-methylsulfonylanilino)acetamide

N-cyclopentyl-2-(3-fluoro-N-methylsulfonylanilino)acetamide (PubChem CID 894153) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-cyclopentyl-2-(3-fluoro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3-fluoro-N-methylsulfonylanilino)acetamide
PubChem CID894153
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-cyclopentyl-2-(3-fluoro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NC1CCCC1)c1cccc(F)c1
InChIInChI=1S/C14H19FN2O3S/c1-21(19,20)17(13-8-4-5-11(15)9-13)10-14(18)16-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,16,18)
InChIKeyIOSPXDUSIXHGIW-UHFFFAOYSA-N
XLogP1.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3-fluoro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-cyclopentyl-2-(3-fluoro-N-methylsulfonylanilino)acetamide (CID 894153) is N-cyclopentyl-2-(3-fluoro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(3-fluoro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-cyclopentyl-2-(3-fluoro-N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(=O)NC1CCCC1)c1cccc(F)c1.
What is the InChIKey of N-cyclopentyl-2-(3-fluoro-N-methylsulfonylanilino)acetamide?
The InChIKey is IOSPXDUSIXHGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-21(19,20)17(13-8-4-5-11(15)9-13)10-14(18)16-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,16,18).
What are the key properties of N-cyclopentyl-2-(3-fluoro-N-methylsulfonylanilino)acetamide?
N-cyclopentyl-2-(3-fluoro-N-methylsulfonylanilino)acetamide has a molecular weight of 314.38 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3-fluoro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 894153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).