2-[1-(2,4-dichlorophenyl)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide

C16H18Cl2N2OS — CID 55569034

IUPAC2-[1-(2,4-dichlorophenyl)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(c1ccc(Cl)cc1Cl)N(C)CC(=O)NCc1cccs1
InChIInChI=1S/C16H18Cl2N2OS/c1-11(14-6-5-12(17)8-15(14)18)20(2)10-16(21)19-9-13-4-3-7-22-13/h3-8,11H,9-10H2,1-2H3,(H,19,21)
InChIKeyPOBSUWVRJRMGCP-UHFFFAOYSA-N
MW357.31 g/mol
LogP4.36
Rot. Bonds6

About 2-[1-(2,4-dichlorophenyl)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide

2-[1-(2,4-dichlorophenyl)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 55569034) has the molecular formula C16H18Cl2N2OS and a molecular weight of 357.31 g/mol. Its IUPAC name is 2-[1-(2,4-dichlorophenyl)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(2,4-dichlorophenyl)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID55569034
Molecular FormulaC16H18Cl2N2OS
Molecular Weight357.31 g/mol
Exact Mass356.05
IUPAC Name2-[1-(2,4-dichlorophenyl)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(c1ccc(Cl)cc1Cl)N(C)CC(=O)NCc1cccs1
InChIInChI=1S/C16H18Cl2N2OS/c1-11(14-6-5-12(17)8-15(14)18)20(2)10-16(21)19-9-13-4-3-7-22-13/h3-8,11H,9-10H2,1-2H3,(H,19,21)
InChIKeyPOBSUWVRJRMGCP-UHFFFAOYSA-N
XLogP4.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(1-thiophen-2-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 51271574
N-(2-acetamidoethyl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide
CID 47023383
N-[(5-chlorothiophen-2-yl)methyl]-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
CID 47281346
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]-methylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 51934800
2-(4-chloro-N-ethyl-2-nitroanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 9113455
N-(4-chlorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
CID 18124847
2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(thiophen-2-ylmethyl)propanamide
CID 86909979
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 27095198
3-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-propan-2-ylamino]propanoic acid
CID 60832973
N-tert-butyl-2-[[2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetyl]-methylamino]acetamide
CID 55568921
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-ethylacetamide
CID 60505315
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 78957766

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dichlorophenyl)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(2,4-dichlorophenyl)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 55569034) is 2-[1-(2,4-dichlorophenyl)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(2,4-dichlorophenyl)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(2,4-dichlorophenyl)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide is CC(c1ccc(Cl)cc1Cl)N(C)CC(=O)NCc1cccs1.
What is the InChIKey of 2-[1-(2,4-dichlorophenyl)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is POBSUWVRJRMGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2OS/c1-11(14-6-5-12(17)8-15(14)18)20(2)10-16(21)19-9-13-4-3-7-22-13/h3-8,11H,9-10H2,1-2H3,(H,19,21).
What are the key properties of 2-[1-(2,4-dichlorophenyl)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide?
2-[1-(2,4-dichlorophenyl)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 357.31 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dichlorophenyl)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 55569034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).