2-(3,4-dichlorophenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide

C17H18Cl2N2O2S — CID 4843549

IUPAC2-(3,4-dichlorophenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2O2S/c1-2-21(11-16(22)20-10-13-4-3-7-24-13)17(23)9-12-5-6-14(18)15(19)8-12/h3-8H,2,9-11H2,1H3,(H,20,22)
InChIKeyDLPRMTNAVIQISS-UHFFFAOYSA-N
MW385.32 g/mol
LogP3.76
Rot. Bonds7

About 2-(3,4-dichlorophenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide

2-(3,4-dichlorophenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide (PubChem CID 4843549) has the molecular formula C17H18Cl2N2O2S and a molecular weight of 385.32 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
PubChem CID4843549
Molecular FormulaC17H18Cl2N2O2S
Molecular Weight385.32 g/mol
Exact Mass384.05
IUPAC Name2-(3,4-dichlorophenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2O2S/c1-2-21(11-16(22)20-10-13-4-3-7-24-13)17(23)9-12-5-6-14(18)15(19)8-12/h3-8H,2,9-11H2,1H3,(H,20,22)
InChIKeyDLPRMTNAVIQISS-UHFFFAOYSA-N
XLogP3.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-1-[7-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
CID 9822764
2-(3,4-dichlorophenyl)-1-[4-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 15697372
2-(3,4-dichlorophenyl)-1-[4-(piperidin-1-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 15697375
Dipeptidyl nitrile inhibitor, 22
CID 44224132
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide
CID 2532766
3,4-dichloro-N-(2-thiophen-2-ylethyl)benzamide
CID 1511025
N-[(3,5-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide
CID 2801025
Proline scaffold, 24
CID 42618122
2-(4-chlorophenyl)-N-(3-ethoxypropyl)-2-[(thien-2-ylacetyl)amino]acetamide
CID 4387070
2-chloro-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4879880
N-[2-(1-Benzo[b]thiophen-2-yl-cyclohexylamino)-ethyl]-2-(3,4-dichloro-phenyl)-acetamide
CID 9981744
2-benzo[b]thiophen-3-yl-N-[1-(3,4-dichlorobenzyl)pyrrolidin-3-yl]acetamide
CID 11353108

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide (CID 4843549) is 2-(3,4-dichlorophenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide is CCN(CC(=O)NCc1cccs1)C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide?
The InChIKey is DLPRMTNAVIQISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2S/c1-2-21(11-16(22)20-10-13-4-3-7-24-13)17(23)9-12-5-6-14(18)15(19)8-12/h3-8H,2,9-11H2,1H3,(H,20,22).
What are the key properties of 2-(3,4-dichlorophenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide?
2-(3,4-dichlorophenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide has a molecular weight of 385.32 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide is sourced from PubChem (CID 4843549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).