N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(4-carbamoylphenyl)thiophene-2-carboxamide

C18H19N3O2S — CID 18535096

IUPACN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(4-carbamoylphenyl)thiophene-2-carboxamide
SMILESNC(=O)c1ccc(-c2ccc(C(=O)NC3CC4CCC3N4)s2)cc1
InChIInChI=1S/C18H19N3O2S/c19-17(22)11-3-1-10(2-4-11)15-7-8-16(24-15)18(23)21-14-9-12-5-6-13(14)20-12/h1-4,7-8,12-14,20H,5-6,9H2,(H2,19,22)(H,21,23)
InChIKeyIRQLBHQKGUVLOU-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.14
Rot. Bonds4

About N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(4-carbamoylphenyl)thiophene-2-carboxamide

N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(4-carbamoylphenyl)thiophene-2-carboxamide (PubChem CID 18535096) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(4-carbamoylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(4-carbamoylphenyl)thiophene-2-carboxamide
PubChem CID18535096
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(4-carbamoylphenyl)thiophene-2-carboxamide
SMILESNC(=O)c1ccc(-c2ccc(C(=O)NC3CC4CCC3N4)s2)cc1
InChIInChI=1S/C18H19N3O2S/c19-17(22)11-3-1-10(2-4-11)15-7-8-16(24-15)18(23)21-14-9-12-5-6-13(14)20-12/h1-4,7-8,12-14,20H,5-6,9H2,(H2,19,22)(H,21,23)
InChIKeyIRQLBHQKGUVLOU-UHFFFAOYSA-N
XLogP2.14
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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-(6-chloro-3-pyridinyl)thiophene-2-carboxamide
CID 18535453
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-carbamoylphenyl)sulfanylthiophene-2-carboxamide
CID 18535072
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2-chloro-1,3-thiazol-5-yl)thiophene-2-carboxamide
CID 70027549
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(5-chloro-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 70025572
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(5-methoxy-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide
CID 18535410
N-[(1S,2R,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-5-phenylthiophene-2-carbothioamide
CID 15967029
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)thiophene-2-carboxamide;hydrochloride
CID 119457422
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-phenylsulfanylthiophene-2-carboxamide
CID 18535408
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[2-(trifluoromethylsulfonylamino)phenyl]thiophene-2-carboxamide
CID 18535379
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2-hydroxyphenyl)sulfanylthiophene-2-carboxamide
CID 70025508
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methoxyphenoxy)thiophene-2-carboxamide
CID 70026018

Frequently Asked Questions

What is the IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(4-carbamoylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(4-carbamoylphenyl)thiophene-2-carboxamide (CID 18535096) is N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(4-carbamoylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(4-carbamoylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(4-carbamoylphenyl)thiophene-2-carboxamide is NC(=O)c1ccc(-c2ccc(C(=O)NC3CC4CCC3N4)s2)cc1.
What is the InChIKey of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(4-carbamoylphenyl)thiophene-2-carboxamide?
The InChIKey is IRQLBHQKGUVLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c19-17(22)11-3-1-10(2-4-11)15-7-8-16(24-15)18(23)21-14-9-12-5-6-13(14)20-12/h1-4,7-8,12-14,20H,5-6,9H2,(H2,19,22)(H,21,23).
What are the key properties of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(4-carbamoylphenyl)thiophene-2-carboxamide?
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(4-carbamoylphenyl)thiophene-2-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 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-(4-carbamoylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 18535096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).