N-cyclopentyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide

C14H19FN2O3S — CID 893309

IUPACN-cyclopentyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O3S/c1-17(10-14(18)16-12-4-2-3-5-12)21(19,20)13-8-6-11(15)7-9-13/h6-9,12H,2-5,10H2,1H3,(H,16,18)
InChIKeyVMVKWUIJZPCBOK-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.50
Rot. Bonds5

About N-cyclopentyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide

N-cyclopentyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide (PubChem CID 893309) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
PubChem CID893309
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-cyclopentyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O3S/c1-17(10-14(18)16-12-4-2-3-5-12)21(19,20)13-8-6-11(15)7-9-13/h6-9,12H,2-5,10H2,1H3,(H,16,18)
InChIKeyVMVKWUIJZPCBOK-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-cyclopentyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide (CID 893309) is N-cyclopentyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide is CN(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-cyclopentyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The InChIKey is VMVKWUIJZPCBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-17(10-14(18)16-12-4-2-3-5-12)21(19,20)13-8-6-11(15)7-9-13/h6-9,12H,2-5,10H2,1H3,(H,16,18).
What are the key properties of N-cyclopentyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
N-cyclopentyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide has a molecular weight of 314.38 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 893309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).