N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-(5-morpholin-4-ylthiophen-2-yl)oxybenzamide

C21H25N3O3S — CID 10222578

IUPACN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-(5-morpholin-4-ylthiophen-2-yl)oxybenzamide
SMILESO=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2ccc(N3CCOCC3)s2)cc1
InChIInChI=1S/C21H25N3O3S/c25-21(23-18-13-15-3-6-17(18)22-15)14-1-4-16(5-2-14)27-20-8-7-19(28-20)24-9-11-26-12-10-24/h1-2,4-5,7-8,15,17-18,22H,3,6,9-13H2,(H,23,25)/t15-,17+,18-/m1/s1
InChIKeyVPXVOAVEGUOOIO-BPQIPLTHSA-N
MW399.52 g/mol
LogP3.00
Rot. Bonds5

About N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-(5-morpholin-4-ylthiophen-2-yl)oxybenzamide

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-(5-morpholin-4-ylthiophen-2-yl)oxybenzamide (PubChem CID 10222578) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-(5-morpholin-4-ylthiophen-2-yl)oxybenzamide.

Molecular Properties

Compound NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-(5-morpholin-4-ylthiophen-2-yl)oxybenzamide
PubChem CID10222578
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-(5-morpholin-4-ylthiophen-2-yl)oxybenzamide
SMILESO=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2ccc(N3CCOCC3)s2)cc1
InChIInChI=1S/C21H25N3O3S/c25-21(23-18-13-15-3-6-17(18)22-15)14-1-4-16(5-2-14)27-20-8-7-19(28-20)24-9-11-26-12-10-24/h1-2,4-5,7-8,15,17-18,22H,3,6,9-13H2,(H,23,25)/t15-,17+,18-/m1/s1
InChIKeyVPXVOAVEGUOOIO-BPQIPLTHSA-N
XLogP3.00
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-aminophenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide
CID 85078315
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methoxyphenoxy)thiophene-2-carboxamide
CID 70026018
4-(2-acetylphenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide
CID 85330831
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(4-fluorophenoxy)-1,3-thiazole-2-carboxamide
CID 18535616
N-(7-azabicyclo[2.2.1]heptan-2-yl)-4-[(2-methoxy-1,3-oxazol-5-yl)oxy]benzamide
CID 85054455
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-morpholin-4-ylphenyl)sulfanylthiophene-2-carboxamide
CID 20585480
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(5-methoxyfuran-2-yl)oxythiophene-2-carboxamide
CID 18535378
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide
CID 10109523
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-methylphenoxy)thiophene-2-carboxamide
CID 18535221
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[(2-chloro-1,3-thiazol-5-yl)oxy]thiophene-2-carboxamide
CID 18535055
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-morpholin-4-ylphenoxy)thiophene-2-carboxamide
CID 18180558
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(5-methoxy-1,3,4-oxadiazol-2-yl)oxy]thiophene-2-carboxamide
CID 70028270

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-(5-morpholin-4-ylthiophen-2-yl)oxybenzamide?
The IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-(5-morpholin-4-ylthiophen-2-yl)oxybenzamide (CID 10222578) is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-(5-morpholin-4-ylthiophen-2-yl)oxybenzamide.
What is the SMILES notation for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-(5-morpholin-4-ylthiophen-2-yl)oxybenzamide?
The canonical SMILES for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-(5-morpholin-4-ylthiophen-2-yl)oxybenzamide is O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2ccc(N3CCOCC3)s2)cc1.
What is the InChIKey of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-(5-morpholin-4-ylthiophen-2-yl)oxybenzamide?
The InChIKey is VPXVOAVEGUOOIO-BPQIPLTHSA-N. The full InChI is InChI=1S/C21H25N3O3S/c25-21(23-18-13-15-3-6-17(18)22-15)14-1-4-16(5-2-14)27-20-8-7-19(28-20)24-9-11-26-12-10-24/h1-2,4-5,7-8,15,17-18,22H,3,6,9-13H2,(H,23,25)/t15-,17+,18-/m1/s1.
What are the key properties of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-(5-morpholin-4-ylthiophen-2-yl)oxybenzamide?
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-(5-morpholin-4-ylthiophen-2-yl)oxybenzamide has a molecular weight of 399.52 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-(5-morpholin-4-ylthiophen-2-yl)oxybenzamide is sourced from PubChem (CID 10222578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).