N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-carbamoylphenyl)sulfanylthiophene-2-carboxamide

C18H19N3O2S2 — CID 18535072

IUPACN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-carbamoylphenyl)sulfanylthiophene-2-carboxamide
SMILESNC(=O)c1cccc(Sc2ccc(C(=O)NC3CC4CCC3N4)s2)c1
InChIInChI=1S/C18H19N3O2S2/c19-17(22)10-2-1-3-12(8-10)24-16-7-6-15(25-16)18(23)21-14-9-11-4-5-13(14)20-11/h1-3,6-8,11,13-14,20H,4-5,9H2,(H2,19,22)(H,21,23)
InChIKeyUDKAQRQBICWDOE-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.62
Rot. Bonds5

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

N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-carbamoylphenyl)sulfanylthiophene-2-carboxamide (PubChem CID 18535072) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-carbamoylphenyl)sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-carbamoylphenyl)sulfanylthiophene-2-carboxamide
PubChem CID18535072
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-carbamoylphenyl)sulfanylthiophene-2-carboxamide
SMILESNC(=O)c1cccc(Sc2ccc(C(=O)NC3CC4CCC3N4)s2)c1
InChIInChI=1S/C18H19N3O2S2/c19-17(22)10-2-1-3-12(8-10)24-16-7-6-15(25-16)18(23)21-14-9-11-4-5-13(14)20-11/h1-3,6-8,11,13-14,20H,4-5,9H2,(H2,19,22)(H,21,23)
InChIKeyUDKAQRQBICWDOE-UHFFFAOYSA-N
XLogP2.62
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-phenylsulfanylthiophene-2-carboxamide
CID 18535408
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[3-(trifluoromethyl)phenyl]sulfanylthiophene-2-carboxamide
CID 70025742
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-[(2,2-difluoroacetyl)amino]phenyl]sulfanylthiophene-2-carboxamide
CID 18535213
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(3-carbamoylphenyl)thiophene-2-carboxamide
CID 10132120
N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-chlorophenyl)sulfanylthiophene-2-carboxamide;hydrochloride
CID 157248969
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(furan-3-ylsulfanyl)thiophene-2-carboxamide
CID 18535618
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(4-cyanophenyl)sulfanylthiophene-2-carboxamide
CID 18535393
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2-hydroxyphenyl)sulfanylthiophene-2-carboxamide
CID 70025508
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(4-carbamoylphenyl)thiophene-2-carboxamide
CID 18535096
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2-sulfamoylphenyl)sulfanylthiophene-2-carboxamide
CID 70025805
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-morpholin-4-ylphenyl)sulfanylthiophene-2-carboxamide
CID 20585480
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(5-chlorofuran-2-yl)sulfanylthiophene-2-carboxamide
CID 70025990

Frequently Asked Questions

What is the IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-carbamoylphenyl)sulfanylthiophene-2-carboxamide?
The IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-carbamoylphenyl)sulfanylthiophene-2-carboxamide (CID 18535072) is N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-carbamoylphenyl)sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-carbamoylphenyl)sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-carbamoylphenyl)sulfanylthiophene-2-carboxamide is NC(=O)c1cccc(Sc2ccc(C(=O)NC3CC4CCC3N4)s2)c1.
What is the InChIKey of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-carbamoylphenyl)sulfanylthiophene-2-carboxamide?
The InChIKey is UDKAQRQBICWDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c19-17(22)10-2-1-3-12(8-10)24-16-7-6-15(25-16)18(23)21-14-9-11-4-5-13(14)20-11/h1-3,6-8,11,13-14,20H,4-5,9H2,(H2,19,22)(H,21,23).
What are the key properties of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-carbamoylphenyl)sulfanylthiophene-2-carboxamide?
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-carbamoylphenyl)sulfanylthiophene-2-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-carbamoylphenyl)sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 18535072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).