2-[(2-chlorophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide

C16H19ClN2OS — CID 26510422

IUPAC2-[(2-chlorophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)Cc1ccccc1Cl
InChIInChI=1S/C16H19ClN2OS/c1-2-19(11-13-6-3-4-8-15(13)17)12-16(20)18-10-14-7-5-9-21-14/h3-9H,2,10-12H2,1H3,(H,18,20)
InChIKeyMZLKMYPHNNPQIO-UHFFFAOYSA-N
MW322.86 g/mol
LogP3.54
Rot. Bonds7

About 2-[(2-chlorophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide

2-[(2-chlorophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 26510422) has the molecular formula C16H19ClN2OS and a molecular weight of 322.86 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID26510422
Molecular FormulaC16H19ClN2OS
Molecular Weight322.86 g/mol
Exact Mass322.09
IUPAC Name2-[(2-chlorophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)Cc1ccccc1Cl
InChIInChI=1S/C16H19ClN2OS/c1-2-19(11-13-6-3-4-8-15(13)17)12-16(20)18-10-14-7-5-9-21-14/h3-9H,2,10-12H2,1H3,(H,18,20)
InChIKeyMZLKMYPHNNPQIO-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 26510422) is 2-[(2-chlorophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide is CCN(CC(=O)NCc1cccs1)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is MZLKMYPHNNPQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2OS/c1-2-19(11-13-6-3-4-8-15(13)17)12-16(20)18-10-14-7-5-9-21-14/h3-9H,2,10-12H2,1H3,(H,18,20).
What are the key properties of 2-[(2-chlorophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
2-[(2-chlorophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 322.86 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 26510422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).