N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride

C20H24ClN3O2S — CID 119759073

About N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride

N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 119759073) has the molecular formula C20H24ClN3O2S and a molecular weight of 405.95 g/mol. Its IUPAC name is N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride
• PubChem CID: 119759073
• Molecular Formula: C20H24ClN3O2S
• Molecular Weight: 405.95 g/mol
• Exact Mass: 405.13
• IUPAC Name: N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride
• SMILES: Cl.O=C(CC1CC2CCC(C1)N2)Nc1ccc(NC(=O)c2cccs2)cc1
• InChI: InChI=1S/C20H23N3O2S.ClH/c24-19(12-13-10-16-7-8-17(11-13)21-16)22-14-3-5-15(6-4-14)23-20(25)18-2-1-9-26-18;/h1-6,9,13,16-17,21H,7-8,10-12H2,(H,22,24)(H,23,25);1H
• InChIKey: RBQRPPZCUKRZQH-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 70.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.95
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride?

The IUPAC name of N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride (CID 119759073) is N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride.

What is the SMILES notation for N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride?

The canonical SMILES for N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride is Cl.O=C(CC1CC2CCC(C1)N2)Nc1ccc(NC(=O)c2cccs2)cc1.

What is the InChIKey of N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride?

The InChIKey is RBQRPPZCUKRZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S.ClH/c24-19(12-13-10-16-7-8-17(11-13)21-16)22-14-3-5-15(6-4-14)23-20(25)18-2-1-9-26-18;/h1-6,9,13,16-17,21H,7-8,10-12H2,(H,22,24)(H,23,25);1H.

What are the key properties of N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride?

N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 405.95 g/mol, XLogP of 4.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119759073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).