N-[2-(4-cyclopentylsulfanylphenyl)ethyl]oxolane-2-carboxamide

C18H25NO2S — CID 110790725

IUPACN-[2-(4-cyclopentylsulfanylphenyl)ethyl]oxolane-2-carboxamide
SMILESO=C(NCCc1ccc(SC2CCCC2)cc1)C1CCCO1
InChIInChI=1S/C18H25NO2S/c20-18(17-6-3-13-21-17)19-12-11-14-7-9-16(10-8-14)22-15-4-1-2-5-15/h7-10,15,17H,1-6,11-13H2,(H,19,20)
InChIKeyAXDQAFBVOCCYIP-UHFFFAOYSA-N
MW319.47 g/mol
LogP3.56
Rot. Bonds6

About N-[2-(4-cyclopentylsulfanylphenyl)ethyl]oxolane-2-carboxamide

N-[2-(4-cyclopentylsulfanylphenyl)ethyl]oxolane-2-carboxamide (PubChem CID 110790725) has the molecular formula C18H25NO2S and a molecular weight of 319.47 g/mol. Its IUPAC name is N-[2-(4-cyclopentylsulfanylphenyl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-cyclopentylsulfanylphenyl)ethyl]oxolane-2-carboxamide
PubChem CID110790725
Molecular FormulaC18H25NO2S
Molecular Weight319.47 g/mol
Exact Mass319.16
IUPAC NameN-[2-(4-cyclopentylsulfanylphenyl)ethyl]oxolane-2-carboxamide
SMILESO=C(NCCc1ccc(SC2CCCC2)cc1)C1CCCO1
InChIInChI=1S/C18H25NO2S/c20-18(17-6-3-13-21-17)19-12-11-14-7-9-16(10-8-14)22-15-4-1-2-5-15/h7-10,15,17H,1-6,11-13H2,(H,19,20)
InChIKeyAXDQAFBVOCCYIP-UHFFFAOYSA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide
CID 2948475
2-[(4-methylphenyl)sulfanyl]-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 3144141
N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide
CID 3155150
[2-Oxo-2-(oxolan-2-ylmethylamino)ethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 16496027
N-[phenyl(thiophen-2-yl)methyl]oxolane-2-carboxamide
CID 45845812
2-[(4-methylphenyl)thio]-N-(tetrahydro-2-furanylmethyl)propanamide
CID 2948260
N-(2-phenyl-1-thiophen-2-ylethyl)oxolane-2-carboxamide
CID 56791666
N-(oxolan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2886245
2-benzylsulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 3570656
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)oxolane-2-carboxamide
CID 45798240
N-[3-(4-fluorophenyl)sulfanylpropyl]oxolane-2-carboxamide
CID 78772765
(2S)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]oxolane-2-carboxamide
CID 93606222

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopentylsulfanylphenyl)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(4-cyclopentylsulfanylphenyl)ethyl]oxolane-2-carboxamide (CID 110790725) is N-[2-(4-cyclopentylsulfanylphenyl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(4-cyclopentylsulfanylphenyl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(4-cyclopentylsulfanylphenyl)ethyl]oxolane-2-carboxamide is O=C(NCCc1ccc(SC2CCCC2)cc1)C1CCCO1.
What is the InChIKey of N-[2-(4-cyclopentylsulfanylphenyl)ethyl]oxolane-2-carboxamide?
The InChIKey is AXDQAFBVOCCYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2S/c20-18(17-6-3-13-21-17)19-12-11-14-7-9-16(10-8-14)22-15-4-1-2-5-15/h7-10,15,17H,1-6,11-13H2,(H,19,20).
What are the key properties of N-[2-(4-cyclopentylsulfanylphenyl)ethyl]oxolane-2-carboxamide?
N-[2-(4-cyclopentylsulfanylphenyl)ethyl]oxolane-2-carboxamide has a molecular weight of 319.47 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopentylsulfanylphenyl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 110790725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).