[2-(cyclopentylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methylsulfanyl]acetate

C16H20FNO3S — CID 30391886

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methylsulfanyl]acetate
SMILESO=C(COC(=O)CSCc1ccc(F)cc1)NC1CCCC1
InChIInChI=1S/C16H20FNO3S/c17-13-7-5-12(6-8-13)10-22-11-16(20)21-9-15(19)18-14-3-1-2-4-14/h5-8,14H,1-4,9-11H2,(H,18,19)
InChIKeyMXMNJRKEEMTMGG-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.66
Rot. Bonds7

About [2-(cyclopentylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methylsulfanyl]acetate

[2-(cyclopentylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methylsulfanyl]acetate (PubChem CID 30391886) has the molecular formula C16H20FNO3S and a molecular weight of 325.40 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methylsulfanyl]acetate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methylsulfanyl]acetate
PubChem CID30391886
Molecular FormulaC16H20FNO3S
Molecular Weight325.40 g/mol
Exact Mass325.11
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methylsulfanyl]acetate
SMILESO=C(COC(=O)CSCc1ccc(F)cc1)NC1CCCC1
InChIInChI=1S/C16H20FNO3S/c17-13-7-5-12(6-8-13)10-22-11-16(20)21-9-15(19)18-14-3-1-2-4-14/h5-8,14H,1-4,9-11H2,(H,18,19)
InChIKeyMXMNJRKEEMTMGG-UHFFFAOYSA-N
XLogP2.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(Cycloheptylamino)-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate
CID 24687520
[2-(Cyclohexylmethylamino)-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 2458106
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate
CID 2999545
3-[(2-fluorobenzyl)thio]-N-(2-methoxyethyl)propanamide
CID 3236068
N-cyclopentyl-2-[(4-fluorobenzyl)thio]acetamide
CID 3244937
[2-(Cyclohexylmethylamino)-2-oxoethyl] 2-(4-fluorophenyl)sulfanylacetate
CID 24819842
[2-Oxo-2-(3-phenylpropylamino)ethyl] 2-(4-fluorophenyl)sulfanylacetate
CID 24979827
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate
CID 24982764
[2-[1-(4-Fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate
CID 25161535
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 2571522
[2-(cyclopentylamino)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 2629994
[2-Oxo-2-(1-phenylethylamino)ethyl] 2-benzylsulfanylacetate
CID 4081289

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methylsulfanyl]acetate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methylsulfanyl]acetate (CID 30391886) is [2-(cyclopentylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methylsulfanyl]acetate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methylsulfanyl]acetate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methylsulfanyl]acetate is O=C(COC(=O)CSCc1ccc(F)cc1)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methylsulfanyl]acetate?
The InChIKey is MXMNJRKEEMTMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3S/c17-13-7-5-12(6-8-13)10-22-11-16(20)21-9-15(19)18-14-3-1-2-4-14/h5-8,14H,1-4,9-11H2,(H,18,19).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methylsulfanyl]acetate?
[2-(cyclopentylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methylsulfanyl]acetate has a molecular weight of 325.40 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methylsulfanyl]acetate is sourced from PubChem (CID 30391886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).