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

C21H23NO3S — CID 11530793

IUPACethyl N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]carbamate
SMILESCCOC(=O)N(C)CC[C@H](Oc1cccc2ccccc12)c1cccs1
InChIInChI=1S/C21H23NO3S/c1-3-24-21(23)22(2)14-13-19(20-12-7-15-26-20)25-18-11-6-9-16-8-4-5-10-17(16)18/h4-12,15,19H,3,13-14H2,1-2H3/t19-/m0/s1
InChIKeyZVBNQBQLTOAPHO-IBGZPJMESA-N
MW369.49 g/mol
LogP5.50
Rot. Bonds7

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

ethyl N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]carbamate (PubChem CID 11530793) has the molecular formula C21H23NO3S and a molecular weight of 369.49 g/mol. Its IUPAC name is ethyl N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]carbamate.

Molecular Properties

Compound Nameethyl N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]carbamate
PubChem CID11530793
Molecular FormulaC21H23NO3S
Molecular Weight369.49 g/mol
Exact Mass369.14
IUPAC Nameethyl N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]carbamate
SMILESCCOC(=O)N(C)CC[C@H](Oc1cccc2ccccc12)c1cccs1
InChIInChI=1S/C21H23NO3S/c1-3-24-21(23)22(2)14-13-19(20-12-7-15-26-20)25-18-11-6-9-16-8-4-5-10-17(16)18/h4-12,15,19H,3,13-14H2,1-2H3/t19-/m0/s1
InChIKeyZVBNQBQLTOAPHO-IBGZPJMESA-N
XLogP5.50
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.49
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]carbamate?
The IUPAC name of ethyl N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]carbamate (CID 11530793) is ethyl N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]carbamate.
What is the SMILES notation for ethyl N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]carbamate?
The canonical SMILES for ethyl N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]carbamate is CCOC(=O)N(C)CC[C@H](Oc1cccc2ccccc12)c1cccs1.
What is the InChIKey of ethyl N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]carbamate?
The InChIKey is ZVBNQBQLTOAPHO-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23NO3S/c1-3-24-21(23)22(2)14-13-19(20-12-7-15-26-20)25-18-11-6-9-16-8-4-5-10-17(16)18/h4-12,15,19H,3,13-14H2,1-2H3/t19-/m0/s1.
What are the key properties of ethyl N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]carbamate?
ethyl N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]carbamate has a molecular weight of 369.49 g/mol, XLogP of 5.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]carbamate is sourced from PubChem (CID 11530793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).