4-amino-2-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride

C17H22Cl3N3O2S — CID 119829185

IUPAC4-amino-2-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride
SMILESCl.Cl.Nc1ccc(C(=O)NCC(c2cccs2)N2CCOCC2)c(Cl)c1
InChIInChI=1S/C17H20ClN3O2S.2ClH/c18-14-10-12(19)3-4-13(14)17(22)20-11-15(16-2-1-9-24-16)21-5-7-23-8-6-21;;/h1-4,9-10,15H,5-8,11,19H2,(H,20,22);2*1H
InChIKeyFQKOSPZWQRRFIH-UHFFFAOYSA-N
MW438.81 g/mol
LogP3.63
Rot. Bonds5

About 4-amino-2-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride

4-amino-2-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride (PubChem CID 119829185) has the molecular formula C17H22Cl3N3O2S and a molecular weight of 438.81 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-2-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride
PubChem CID119829185
Molecular FormulaC17H22Cl3N3O2S
Molecular Weight438.81 g/mol
Exact Mass437.05
IUPAC Name4-amino-2-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride
SMILESCl.Cl.Nc1ccc(C(=O)NCC(c2cccs2)N2CCOCC2)c(Cl)c1
InChIInChI=1S/C17H20ClN3O2S.2ClH/c18-14-10-12(19)3-4-13(14)17(22)20-11-15(16-2-1-9-24-16)21-5-7-23-8-6-21;;/h1-4,9-10,15H,5-8,11,19H2,(H,20,22);2*1H
InChIKeyFQKOSPZWQRRFIH-UHFFFAOYSA-N
XLogP3.63
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.81
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-fluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 18148637
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-chlorobenzamide
CID 17012442
5,6-dichloro-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 2509986
2-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 167860438
2-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 4964221
2,4-dichloro-N-(2-morpholin-4-yl-2-phenylethyl)benzamide
CID 46578639
4-bromo-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984970
5-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide;dihydrochloride
CID 120642320
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 94180353
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide
CID 39951261
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 47007223
2-chloro-4-nitro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43006523

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride?
The IUPAC name of 4-amino-2-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride (CID 119829185) is 4-amino-2-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride.
What is the SMILES notation for 4-amino-2-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride?
The canonical SMILES for 4-amino-2-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride is Cl.Cl.Nc1ccc(C(=O)NCC(c2cccs2)N2CCOCC2)c(Cl)c1.
What is the InChIKey of 4-amino-2-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride?
The InChIKey is FQKOSPZWQRRFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S.2ClH/c18-14-10-12(19)3-4-13(14)17(22)20-11-15(16-2-1-9-24-16)21-5-7-23-8-6-21;;/h1-4,9-10,15H,5-8,11,19H2,(H,20,22);2*1H.
What are the key properties of 4-amino-2-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride?
4-amino-2-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride has a molecular weight of 438.81 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride is sourced from PubChem (CID 119829185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).