2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylacetamide;dihydrochloride

C18H27Cl2N3OS — CID 119849729

IUPAC2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylacetamide;dihydrochloride
SMILESCCN(CC)C(CNC(=O)C(N)c1ccccc1)c1ccsc1.Cl.Cl
InChIInChI=1S/C18H25N3OS.2ClH/c1-3-21(4-2)16(15-10-11-23-13-15)12-20-18(22)17(19)14-8-6-5-7-9-14;;/h5-11,13,16-17H,3-4,12,19H2,1-2H3,(H,20,22);2*1H
InChIKeyGKRDHVPBTPJNIC-UHFFFAOYSA-N
MW404.41 g/mol
LogP3.79
Rot. Bonds8

About 2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylacetamide;dihydrochloride

2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylacetamide;dihydrochloride (PubChem CID 119849729) has the molecular formula C18H27Cl2N3OS and a molecular weight of 404.41 g/mol. Its IUPAC name is 2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylacetamide;dihydrochloride
PubChem CID119849729
Molecular FormulaC18H27Cl2N3OS
Molecular Weight404.41 g/mol
Exact Mass403.13
IUPAC Name2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylacetamide;dihydrochloride
SMILESCCN(CC)C(CNC(=O)C(N)c1ccccc1)c1ccsc1.Cl.Cl
InChIInChI=1S/C18H25N3OS.2ClH/c1-3-21(4-2)16(15-10-11-23-13-15)12-20-18(22)17(19)14-8-6-5-7-9-14;;/h5-11,13,16-17H,3-4,12,19H2,1-2H3,(H,20,22);2*1H
InChIKeyGKRDHVPBTPJNIC-UHFFFAOYSA-N
XLogP3.79
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.41
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669669
2-amino-N-[2-(diethylamino)-2-phenylethyl]-2-phenylacetamide
CID 119399166
2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide;dihydrochloride
CID 119849739
2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylpropanamide;dihydrochloride
CID 120595403
(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide
CID 119850709
(2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methylbutanamide
CID 61148338
(2R)-2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-phenylacetamide
CID 61273636
(2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3,3-dimethylbutanamide
CID 119399219
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
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-naphthalen-2-ylacetamide
CID 55660317

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylacetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylacetamide;dihydrochloride (CID 119849729) is 2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylacetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylacetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylacetamide;dihydrochloride is CCN(CC)C(CNC(=O)C(N)c1ccccc1)c1ccsc1.Cl.Cl.
What is the InChIKey of 2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylacetamide;dihydrochloride?
The InChIKey is GKRDHVPBTPJNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS.2ClH/c1-3-21(4-2)16(15-10-11-23-13-15)12-20-18(22)17(19)14-8-6-5-7-9-14;;/h5-11,13,16-17H,3-4,12,19H2,1-2H3,(H,20,22);2*1H.
What are the key properties of 2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylacetamide;dihydrochloride?
2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylacetamide;dihydrochloride has a molecular weight of 404.41 g/mol, XLogP of 3.79, 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-phenylacetamide;dihydrochloride is sourced from PubChem (CID 119849729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).