tert-butyl N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]carbamate

C23H27NO3S — CID 11223239

IUPACtert-butyl N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]carbamate
SMILESCN(CC[C@H](Oc1cccc2ccccc12)c1cccs1)C(=O)OC(C)(C)C
InChIInChI=1S/C23H27NO3S/c1-23(2,3)27-22(25)24(4)15-14-20(21-13-8-16-28-21)26-19-12-7-10-17-9-5-6-11-18(17)19/h5-13,16,20H,14-15H2,1-4H3/t20-/m0/s1
InChIKeyGSOWMWASMUTKBO-FQEVSTJZSA-N
MW397.54 g/mol
LogP6.28
Rot. Bonds6

About tert-butyl N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]carbamate

tert-butyl N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]carbamate (PubChem CID 11223239) has the molecular formula C23H27NO3S and a molecular weight of 397.54 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]carbamate
PubChem CID11223239
Molecular FormulaC23H27NO3S
Molecular Weight397.54 g/mol
Exact Mass397.17
IUPAC Nametert-butyl N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]carbamate
SMILESCN(CC[C@H](Oc1cccc2ccccc12)c1cccs1)C(=O)OC(C)(C)C
InChIInChI=1S/C23H27NO3S/c1-23(2,3)27-22(25)24(4)15-14-20(21-13-8-16-28-21)26-19-12-7-10-17-9-5-6-11-18(17)19/h5-13,16,20H,14-15H2,1-4H3/t20-/m0/s1
InChIKeyGSOWMWASMUTKBO-FQEVSTJZSA-N
XLogP6.28
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.54
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]carbamate (CID 11223239) is tert-butyl N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]carbamate is CN(CC[C@H](Oc1cccc2ccccc12)c1cccs1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]carbamate?
The InChIKey is GSOWMWASMUTKBO-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H27NO3S/c1-23(2,3)27-22(25)24(4)15-14-20(21-13-8-16-28-21)26-19-12-7-10-17-9-5-6-11-18(17)19/h5-13,16,20H,14-15H2,1-4H3/t20-/m0/s1.
What are the key properties of tert-butyl N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]carbamate?
tert-butyl N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]carbamate has a molecular weight of 397.54 g/mol, XLogP of 6.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]carbamate is sourced from PubChem (CID 11223239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).