2-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride

C17H23Cl2N3OS — CID 119946170

IUPAC2-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride
SMILESCl.Cl.Nc1ccccc1C(=O)NCC(c1cccs1)N1CCCC1
InChIInChI=1S/C17H21N3OS.2ClH/c18-14-7-2-1-6-13(14)17(21)19-12-15(16-8-5-11-22-16)20-9-3-4-10-20;;/h1-2,5-8,11,15H,3-4,9-10,12,18H2,(H,19,21);2*1H
InChIKeyDXTDHMTWVZHWHH-UHFFFAOYSA-N
MW388.36 g/mol
LogP3.74
Rot. Bonds5

About 2-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride

2-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride (PubChem CID 119946170) has the molecular formula C17H23Cl2N3OS and a molecular weight of 388.36 g/mol. Its IUPAC name is 2-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride
PubChem CID119946170
Molecular FormulaC17H23Cl2N3OS
Molecular Weight388.36 g/mol
Exact Mass387.09
IUPAC Name2-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride
SMILESCl.Cl.Nc1ccccc1C(=O)NCC(c1cccs1)N1CCCC1
InChIInChI=1S/C17H21N3OS.2ClH/c18-14-7-2-1-6-13(14)17(21)19-12-15(16-8-5-11-22-16)20-9-3-4-10-20;;/h1-2,5-8,11,15H,3-4,9-10,12,18H2,(H,19,21);2*1H
InChIKeyDXTDHMTWVZHWHH-UHFFFAOYSA-N
XLogP3.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.36
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide;dihydrochloride
CID 119946151
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-chlorobenzamide
CID 17012442
2-methoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950107
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-methoxybenzamide
CID 35133379
N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267
2-(difluoromethoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43019875
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-propoxybenzamide
CID 35042114
2-butoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 35181744
5-bromo-2-hydroxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43006527
4-bromo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17012026
3-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazine-2-carboxamide
CID 42940363

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride?
The IUPAC name of 2-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride (CID 119946170) is 2-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride?
The canonical SMILES for 2-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride is Cl.Cl.Nc1ccccc1C(=O)NCC(c1cccs1)N1CCCC1.
What is the InChIKey of 2-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride?
The InChIKey is DXTDHMTWVZHWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS.2ClH/c18-14-7-2-1-6-13(14)17(21)19-12-15(16-8-5-11-22-16)20-9-3-4-10-20;;/h1-2,5-8,11,15H,3-4,9-10,12,18H2,(H,19,21);2*1H.
What are the key properties of 2-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride?
2-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride has a molecular weight of 388.36 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride is sourced from PubChem (CID 119946170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).