(5-phenylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate

C18H20N2O2S — CID 69301942

IUPAC(5-phenylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate
SMILESO=C(NC1CN2CCC1CC2)Oc1ccc(-c2ccccc2)s1
InChIInChI=1S/C18H20N2O2S/c21-18(19-15-12-20-10-8-13(15)9-11-20)22-17-7-6-16(23-17)14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,19,21)
InChIKeyLSZHPTBXGDCBPK-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.60
Rot. Bonds3

About (5-phenylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate

(5-phenylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate (PubChem CID 69301942) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is (5-phenylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate.

Molecular Properties

Compound Name(5-phenylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate
PubChem CID69301942
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name(5-phenylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate
SMILESO=C(NC1CN2CCC1CC2)Oc1ccc(-c2ccccc2)s1
InChIInChI=1S/C18H20N2O2S/c21-18(19-15-12-20-10-8-13(15)9-11-20)22-17-7-6-16(23-17)14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,19,21)
InChIKeyLSZHPTBXGDCBPK-UHFFFAOYSA-N
XLogP3.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylthiophene-2-(11C)carboxamide
CID 10041150
thiophen-2-yl N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate
CID 69351700
N-(1-azabicyclo[2.2.1]heptan-3-yl)-5-phenylthiophene-2-carbothioamide
CID 22350489
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 10291113
(4-pyridin-3-ylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate
CID 69301770
5-(3-acetylphenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18180969
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(carbamoylamino)-5-phenylthiophene-3-carboxamide
CID 75070149
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-3-ylthiophene-2-carboxamide
CID 23599499
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-3-ylthiophene-2-carboxamide
CID 10271460
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-(3-phenylmethoxyphenyl)thiophene-2-carboxamide
CID 20815167
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 59113572

Frequently Asked Questions

What is the IUPAC name of (5-phenylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate?
The IUPAC name of (5-phenylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate (CID 69301942) is (5-phenylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate.
What is the SMILES notation for (5-phenylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate?
The canonical SMILES for (5-phenylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate is O=C(NC1CN2CCC1CC2)Oc1ccc(-c2ccccc2)s1.
What is the InChIKey of (5-phenylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate?
The InChIKey is LSZHPTBXGDCBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c21-18(19-15-12-20-10-8-13(15)9-11-20)22-17-7-6-16(23-17)14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,19,21).
What are the key properties of (5-phenylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate?
(5-phenylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate has a molecular weight of 328.44 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate is sourced from PubChem (CID 69301942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).