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

C20H24ClN3O2S — CID 119701069

IUPACN-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C20H23N3O2S.ClH/c24-19(11-13-9-16-6-7-17(10-13)21-16)22-14-3-1-4-15(12-14)23-20(25)18-5-2-8-26-18;/h1-5,8,12-13,16-17,21H,6-7,9-11H2,(H,22,24)(H,23,25);1H
InChIKeyZRWBNJBIGGOYJP-UHFFFAOYSA-N
MW405.95 g/mol
LogP4.28
Rot. Bonds5

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

N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 119701069) has the molecular formula C20H24ClN3O2S and a molecular weight of 405.95 g/mol. Its IUPAC name is N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride
PubChem CID119701069
Molecular FormulaC20H24ClN3O2S
Molecular Weight405.95 g/mol
Exact Mass405.13
IUPAC NameN-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C20H23N3O2S.ClH/c24-19(11-13-9-16-6-7-17(10-13)21-16)22-14-3-1-4-15(12-14)23-20(25)18-5-2-8-26-18;/h1-5,8,12-13,16-17,21H,6-7,9-11H2,(H,22,24)(H,23,25);1H
InChIKeyZRWBNJBIGGOYJP-UHFFFAOYSA-N
XLogP4.28
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119759073
N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]benzamide
CID 119709596
N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]thiophene-2-carboxamide;hydrochloride
CID 119764467
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(methylcarbamoylamino)phenyl]acetamide
CID 119702054
N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
CID 119673318
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride
CID 119687681
N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 79610778
N-[3-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]thiophene-2-carboxamide
CID 51334384
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfonylphenyl)acetamide;hydrochloride
CID 119694305
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide;hydrochloride
CID 119723472
5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-phenylbenzamide;hydrochloride
CID 119789178
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(ethylaminomethyl)phenyl]acetamide
CID 122080255

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride (CID 119701069) is N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride is Cl.O=C(CC1CC2CCC(C1)N2)Nc1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is ZRWBNJBIGGOYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S.ClH/c24-19(11-13-9-16-6-7-17(10-13)21-16)22-14-3-1-4-15(12-14)23-20(25)18-5-2-8-26-18;/h1-5,8,12-13,16-17,21H,6-7,9-11H2,(H,22,24)(H,23,25);1H.
What are the key properties of N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride?
N-[3-[[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-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119701069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).