[(4S)-4-naphthalen-1-yloxy-4-thiophen-2-ylbutan-2-yl] N-ethylcarbamate

C21H23NO3S — CID 67249567

IUPAC[(4S)-4-naphthalen-1-yloxy-4-thiophen-2-ylbutan-2-yl] N-ethylcarbamate
SMILESCCNC(=O)OC(C)C[C@H](Oc1cccc2ccccc12)c1cccs1
InChIInChI=1S/C21H23NO3S/c1-3-22-21(23)24-15(2)14-19(20-12-7-13-26-20)25-18-11-6-9-16-8-4-5-10-17(16)18/h4-13,15,19H,3,14H2,1-2H3,(H,22,23)/t15?,19-/m0/s1
InChIKeyCNEODLKHYHFGAA-FUBQLUNQSA-N
MW369.49 g/mol
LogP5.55
Rot. Bonds7

About [(4S)-4-naphthalen-1-yloxy-4-thiophen-2-ylbutan-2-yl] N-ethylcarbamate

[(4S)-4-naphthalen-1-yloxy-4-thiophen-2-ylbutan-2-yl] N-ethylcarbamate (PubChem CID 67249567) has the molecular formula C21H23NO3S and a molecular weight of 369.49 g/mol. Its IUPAC name is [(4S)-4-naphthalen-1-yloxy-4-thiophen-2-ylbutan-2-yl] N-ethylcarbamate.

Molecular Properties

Compound Name[(4S)-4-naphthalen-1-yloxy-4-thiophen-2-ylbutan-2-yl] N-ethylcarbamate
PubChem CID67249567
Molecular FormulaC21H23NO3S
Molecular Weight369.49 g/mol
Exact Mass369.14
IUPAC Name[(4S)-4-naphthalen-1-yloxy-4-thiophen-2-ylbutan-2-yl] N-ethylcarbamate
SMILESCCNC(=O)OC(C)C[C@H](Oc1cccc2ccccc12)c1cccs1
InChIInChI=1S/C21H23NO3S/c1-3-22-21(23)24-15(2)14-19(20-12-7-13-26-20)25-18-11-6-9-16-8-4-5-10-17(16)18/h4-13,15,19H,3,14H2,1-2H3,(H,22,23)/t15?,19-/m0/s1
InChIKeyCNEODLKHYHFGAA-FUBQLUNQSA-N
XLogP5.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.49
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(4S)-4-naphthalen-1-yloxy-4-thiophen-2-ylbutan-2-yl] N-ethylcarbamate?
The IUPAC name of [(4S)-4-naphthalen-1-yloxy-4-thiophen-2-ylbutan-2-yl] N-ethylcarbamate (CID 67249567) is [(4S)-4-naphthalen-1-yloxy-4-thiophen-2-ylbutan-2-yl] N-ethylcarbamate.
What is the SMILES notation for [(4S)-4-naphthalen-1-yloxy-4-thiophen-2-ylbutan-2-yl] N-ethylcarbamate?
The canonical SMILES for [(4S)-4-naphthalen-1-yloxy-4-thiophen-2-ylbutan-2-yl] N-ethylcarbamate is CCNC(=O)OC(C)C[C@H](Oc1cccc2ccccc12)c1cccs1.
What is the InChIKey of [(4S)-4-naphthalen-1-yloxy-4-thiophen-2-ylbutan-2-yl] N-ethylcarbamate?
The InChIKey is CNEODLKHYHFGAA-FUBQLUNQSA-N. The full InChI is InChI=1S/C21H23NO3S/c1-3-22-21(23)24-15(2)14-19(20-12-7-13-26-20)25-18-11-6-9-16-8-4-5-10-17(16)18/h4-13,15,19H,3,14H2,1-2H3,(H,22,23)/t15?,19-/m0/s1.
What are the key properties of [(4S)-4-naphthalen-1-yloxy-4-thiophen-2-ylbutan-2-yl] N-ethylcarbamate?
[(4S)-4-naphthalen-1-yloxy-4-thiophen-2-ylbutan-2-yl] N-ethylcarbamate has a molecular weight of 369.49 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-naphthalen-1-yloxy-4-thiophen-2-ylbutan-2-yl] N-ethylcarbamate is sourced from PubChem (CID 67249567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).