N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-hydroxyphenyl)thiophene-2-carboxamide

C18H20N2O2S — CID 22350735

IUPACN-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-hydroxyphenyl)thiophene-2-carboxamide
SMILESO=C(NC1CC2CCN(C2)C1)c1ccc(-c2ccc(O)cc2)s1
InChIInChI=1S/C18H20N2O2S/c21-15-3-1-13(2-4-15)16-5-6-17(23-16)18(22)19-14-9-12-7-8-20(10-12)11-14/h1-6,12,14,21H,7-11H2,(H,19,22)
InChIKeyZMOGRUNCWPYFMB-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.94
Rot. Bonds3

About N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-hydroxyphenyl)thiophene-2-carboxamide

N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-hydroxyphenyl)thiophene-2-carboxamide (PubChem CID 22350735) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-hydroxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-hydroxyphenyl)thiophene-2-carboxamide
PubChem CID22350735
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-hydroxyphenyl)thiophene-2-carboxamide
SMILESO=C(NC1CC2CCN(C2)C1)c1ccc(-c2ccc(O)cc2)s1
InChIInChI=1S/C18H20N2O2S/c21-15-3-1-13(2-4-15)16-5-6-17(23-16)18(22)19-14-9-12-7-8-20(10-12)11-14/h1-6,12,14,21H,7-11H2,(H,19,22)
InChIKeyZMOGRUNCWPYFMB-UHFFFAOYSA-N
XLogP2.94
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-methoxyphenyl)thiophene-2-carboxamide
CID 22350651
N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromothiophene-2-carboxamide
CID 22350665
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylthiophene-2-(11C)carboxamide
CID 10041150
5-(4-acetylphenyl)-N-(1-azabicyclo[2.2.2]octan-2-yl)thiophene-2-carboxamide
CID 91189868
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 66814630
N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromofuran-2-carboxamide
CID 22350324
N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-phenylthiophene-2-carboxamide
CID 141172233
N-(1-azabicyclo[3.2.1]octan-3-yl)thieno[2,3-b]pyridine-6-carboxamide
CID 22389175
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)thiophene-2-carboxamide;hydrochloride
CID 119457422
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-6-chloro-5-hydroxypyridine-2-carboxamide
CID 87940296
N-(1-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 22313423
5-(4-chlorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide
CID 119426767

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-hydroxyphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-hydroxyphenyl)thiophene-2-carboxamide (CID 22350735) is N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-hydroxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-hydroxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-hydroxyphenyl)thiophene-2-carboxamide is O=C(NC1CC2CCN(C2)C1)c1ccc(-c2ccc(O)cc2)s1.
What is the InChIKey of N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-hydroxyphenyl)thiophene-2-carboxamide?
The InChIKey is ZMOGRUNCWPYFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c21-15-3-1-13(2-4-15)16-5-6-17(23-16)18(22)19-14-9-12-7-8-20(10-12)11-14/h1-6,12,14,21H,7-11H2,(H,19,22).
What are the key properties of N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-hydroxyphenyl)thiophene-2-carboxamide?
N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-hydroxyphenyl)thiophene-2-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-hydroxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 22350735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).