N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methoxyphenoxy)thiophene-2-carboxamide

C18H20N2O3S — CID 70026018

IUPACN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methoxyphenoxy)thiophene-2-carboxamide
SMILESCOc1ccc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)s2)cc1
InChIInChI=1S/C18H20N2O3S/c1-22-12-3-5-13(6-4-12)23-17-9-8-16(24-17)18(21)20-15-10-11-2-7-14(15)19-11/h3-6,8-9,11,14-15,19H,2,7,10H2,1H3,(H,20,21)/t11-,14+,15-/m1/s1
InChIKeyFBXWRBRGYSVOTM-BYCMXARLSA-N
MW344.44 g/mol
LogP3.17
Rot. Bonds5

About N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methoxyphenoxy)thiophene-2-carboxamide

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methoxyphenoxy)thiophene-2-carboxamide (PubChem CID 70026018) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methoxyphenoxy)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methoxyphenoxy)thiophene-2-carboxamide
PubChem CID70026018
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methoxyphenoxy)thiophene-2-carboxamide
SMILESCOc1ccc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)s2)cc1
InChIInChI=1S/C18H20N2O3S/c1-22-12-3-5-13(6-4-12)23-17-9-8-16(24-17)18(21)20-15-10-11-2-7-14(15)19-11/h3-6,8-9,11,14-15,19H,2,7,10H2,1H3,(H,20,21)/t11-,14+,15-/m1/s1
InChIKeyFBXWRBRGYSVOTM-BYCMXARLSA-N
XLogP3.17
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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]-5-[(5-methoxy-1,3,4-oxadiazol-2-yl)oxy]thiophene-2-carboxamide
CID 70028270
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-methylphenoxy)thiophene-2-carboxamide
CID 18535221
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(2-methoxy-1,3-oxazol-5-yl)oxy]thiophene-2-carboxamide
CID 70026491
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-pyridin-2-yloxythiophene-2-carboxamide
CID 70025848
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[(2-chloro-1,3-thiazol-5-yl)oxy]thiophene-2-carboxamide
CID 18535055
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[(2-chloro-1,3-oxazol-5-yl)oxy]thiophene-2-carboxamide
CID 18535101
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-[(2,2-difluoroacetyl)amino]phenoxy]thiophene-2-carboxamide
CID 18535317
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(4-chloro-2-pyridinyl)oxy]thiophene-2-carboxamide
CID 70026116
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(5-methoxy-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide
CID 18535410
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(4-fluorophenoxy)-1,3-thiazole-2-carboxamide
CID 18535616
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-(5-morpholin-4-ylthiophen-2-yl)oxybenzamide
CID 10222578

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methoxyphenoxy)thiophene-2-carboxamide?
The IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methoxyphenoxy)thiophene-2-carboxamide (CID 70026018) is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methoxyphenoxy)thiophene-2-carboxamide.
What is the SMILES notation for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methoxyphenoxy)thiophene-2-carboxamide?
The canonical SMILES for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methoxyphenoxy)thiophene-2-carboxamide is COc1ccc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)s2)cc1.
What is the InChIKey of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methoxyphenoxy)thiophene-2-carboxamide?
The InChIKey is FBXWRBRGYSVOTM-BYCMXARLSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-22-12-3-5-13(6-4-12)23-17-9-8-16(24-17)18(21)20-15-10-11-2-7-14(15)19-11/h3-6,8-9,11,14-15,19H,2,7,10H2,1H3,(H,20,21)/t11-,14+,15-/m1/s1.
What are the key properties of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methoxyphenoxy)thiophene-2-carboxamide?
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methoxyphenoxy)thiophene-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methoxyphenoxy)thiophene-2-carboxamide is sourced from PubChem (CID 70026018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).