2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride

C19H29Cl2N3OS — CID 120669669

IUPAC2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride
SMILESCCN(CC)C(CNC(=O)C(N)c1ccc(C)cc1)c1ccsc1.Cl.Cl
InChIInChI=1S/C19H27N3OS.2ClH/c1-4-22(5-2)17(16-10-11-24-13-16)12-21-19(23)18(20)15-8-6-14(3)7-9-15;;/h6-11,13,17-18H,4-5,12,20H2,1-3H3,(H,21,23);2*1H
InChIKeyITWPJWGINQDLQC-UHFFFAOYSA-N
MW418.43 g/mol
LogP4.10
Rot. Bonds8

About 2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride

2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride (PubChem CID 120669669) has the molecular formula C19H29Cl2N3OS and a molecular weight of 418.43 g/mol. Its IUPAC name is 2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride
PubChem CID120669669
Molecular FormulaC19H29Cl2N3OS
Molecular Weight418.43 g/mol
Exact Mass417.14
IUPAC Name2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride
SMILESCCN(CC)C(CNC(=O)C(N)c1ccc(C)cc1)c1ccsc1.Cl.Cl
InChIInChI=1S/C19H27N3OS.2ClH/c1-4-22(5-2)17(16-10-11-24-13-16)12-21-19(23)18(20)15-8-6-14(3)7-9-15;;/h6-11,13,17-18H,4-5,12,20H2,1-3H3,(H,21,23);2*1H
InChIKeyITWPJWGINQDLQC-UHFFFAOYSA-N
XLogP4.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylacetamide;dihydrochloride
CID 119849729
2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide;dihydrochloride
CID 119849739
2-amino-N-[2-(diethylamino)-2-phenylethyl]-2-phenylacetamide
CID 119399166
(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide
CID 119850709
2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylpropanamide;dihydrochloride
CID 120595403
2-(aminomethyl)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119849775
N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide
CID 94119134
1-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide
CID 119849782
2-amino-2-(4-methylphenyl)-N-[2-(4-methylphenyl)propyl]acetamide
CID 120668682
ethyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]acetate;hydrochloride
CID 120667027
5-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]pyridine-3-carboxamide
CID 39214471
N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 39212835

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride (CID 120669669) is 2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride is CCN(CC)C(CNC(=O)C(N)c1ccc(C)cc1)c1ccsc1.Cl.Cl.
What is the InChIKey of 2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride?
The InChIKey is ITWPJWGINQDLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3OS.2ClH/c1-4-22(5-2)17(16-10-11-24-13-16)12-21-19(23)18(20)15-8-6-14(3)7-9-15;;/h6-11,13,17-18H,4-5,12,20H2,1-3H3,(H,21,23);2*1H.
What are the key properties of 2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride?
2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride has a molecular weight of 418.43 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride is sourced from PubChem (CID 120669669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).