(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) N-[(2-fluorophenyl)methyl]-N-thiophen-3-ylcarbamate

C20H23FN2O2S — CID 73072010

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) N-[(2-fluorophenyl)methyl]-N-thiophen-3-ylcarbamate
SMILESCN1C2CCC1CC(OC(=O)N(Cc1ccccc1F)c1ccsc1)C2
InChIInChI=1S/C20H23FN2O2S/c1-22-15-6-7-16(22)11-18(10-15)25-20(24)23(17-8-9-26-13-17)12-14-4-2-3-5-19(14)21/h2-5,8-9,13,15-16,18H,6-7,10-12H2,1H3
InChIKeyBSAMUSIUEAVPMZ-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.66
Rot. Bonds4

About (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) N-[(2-fluorophenyl)methyl]-N-thiophen-3-ylcarbamate

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) N-[(2-fluorophenyl)methyl]-N-thiophen-3-ylcarbamate (PubChem CID 73072010) has the molecular formula C20H23FN2O2S and a molecular weight of 374.48 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) N-[(2-fluorophenyl)methyl]-N-thiophen-3-ylcarbamate.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) N-[(2-fluorophenyl)methyl]-N-thiophen-3-ylcarbamate
PubChem CID73072010
Molecular FormulaC20H23FN2O2S
Molecular Weight374.48 g/mol
Exact Mass374.15
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) N-[(2-fluorophenyl)methyl]-N-thiophen-3-ylcarbamate
SMILESCN1C2CCC1CC(OC(=O)N(Cc1ccccc1F)c1ccsc1)C2
InChIInChI=1S/C20H23FN2O2S/c1-22-15-6-7-16(22)11-18(10-15)25-20(24)23(17-8-9-26-13-17)12-14-4-2-3-5-19(14)21/h2-5,8-9,13,15-16,18H,6-7,10-12H2,1H3
InChIKeyBSAMUSIUEAVPMZ-UHFFFAOYSA-N
XLogP4.66
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) N-[(2-fluorophenyl)methyl]-N-thiophen-3-ylcarbamate?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) N-[(2-fluorophenyl)methyl]-N-thiophen-3-ylcarbamate (CID 73072010) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) N-[(2-fluorophenyl)methyl]-N-thiophen-3-ylcarbamate.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) N-[(2-fluorophenyl)methyl]-N-thiophen-3-ylcarbamate?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) N-[(2-fluorophenyl)methyl]-N-thiophen-3-ylcarbamate is CN1C2CCC1CC(OC(=O)N(Cc1ccccc1F)c1ccsc1)C2.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) N-[(2-fluorophenyl)methyl]-N-thiophen-3-ylcarbamate?
The InChIKey is BSAMUSIUEAVPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2S/c1-22-15-6-7-16(22)11-18(10-15)25-20(24)23(17-8-9-26-13-17)12-14-4-2-3-5-19(14)21/h2-5,8-9,13,15-16,18H,6-7,10-12H2,1H3.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) N-[(2-fluorophenyl)methyl]-N-thiophen-3-ylcarbamate?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) N-[(2-fluorophenyl)methyl]-N-thiophen-3-ylcarbamate has a molecular weight of 374.48 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) N-[(2-fluorophenyl)methyl]-N-thiophen-3-ylcarbamate is sourced from PubChem (CID 73072010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).