N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-methylphenoxy)thiophene-2-carboxamide

C18H20N2O2S — CID 18535221

IUPACN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-methylphenoxy)thiophene-2-carboxamide
SMILESCc1cccc(Oc2ccc(C(=O)NC3CC4CCC3N4)s2)c1
InChIInChI=1S/C18H20N2O2S/c1-11-3-2-4-13(9-11)22-17-8-7-16(23-17)18(21)20-15-10-12-5-6-14(15)19-12/h2-4,7-9,12,14-15,19H,5-6,10H2,1H3,(H,20,21)
InChIKeyBBPPYRCTUDQFJU-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.47
Rot. Bonds4

About N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-methylphenoxy)thiophene-2-carboxamide

N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-methylphenoxy)thiophene-2-carboxamide (PubChem CID 18535221) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-methylphenoxy)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-methylphenoxy)thiophene-2-carboxamide
PubChem CID18535221
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-methylphenoxy)thiophene-2-carboxamide
SMILESCc1cccc(Oc2ccc(C(=O)NC3CC4CCC3N4)s2)c1
InChIInChI=1S/C18H20N2O2S/c1-11-3-2-4-13(9-11)22-17-8-7-16(23-17)18(21)20-15-10-12-5-6-14(15)19-12/h2-4,7-9,12,14-15,19H,5-6,10H2,1H3,(H,20,21)
InChIKeyBBPPYRCTUDQFJU-UHFFFAOYSA-N
XLogP3.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methoxyphenoxy)thiophene-2-carboxamide
CID 70026018
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-pyridin-2-yloxythiophene-2-carboxamide
CID 70025848
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-[(2-chloro-1,3-thiazol-5-yl)oxy]thiophene-2-carboxamide
CID 18535055
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-[(4-chloro-2-pyridinyl)oxy]thiophene-2-carboxamide
CID 70026116
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[(2-chloro-1,3-oxazol-5-yl)oxy]thiophene-2-carboxamide
CID 18535101
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-[3-(methanesulfonamido)phenoxy]benzamide
CID 10272400
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(3-carbamoylphenyl)thiophene-2-carboxamide
CID 10132120
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-phenylsulfanylthiophene-2-carboxamide
CID 18535408

Frequently Asked Questions

What is the IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-methylphenoxy)thiophene-2-carboxamide?
The IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-methylphenoxy)thiophene-2-carboxamide (CID 18535221) is N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-methylphenoxy)thiophene-2-carboxamide.
What is the SMILES notation for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-methylphenoxy)thiophene-2-carboxamide?
The canonical SMILES for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-methylphenoxy)thiophene-2-carboxamide is Cc1cccc(Oc2ccc(C(=O)NC3CC4CCC3N4)s2)c1.
What is the InChIKey of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-methylphenoxy)thiophene-2-carboxamide?
The InChIKey is BBPPYRCTUDQFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-11-3-2-4-13(9-11)22-17-8-7-16(23-17)18(21)20-15-10-12-5-6-14(15)19-12/h2-4,7-9,12,14-15,19H,5-6,10H2,1H3,(H,20,21).
What are the key properties of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-methylphenoxy)thiophene-2-carboxamide?
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-methylphenoxy)thiophene-2-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-methylphenoxy)thiophene-2-carboxamide is sourced from PubChem (CID 18535221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).