N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

C20H21N3O2S2 — CID 4788899

IUPACN-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C20H21N3O2S2/c1-2-23(13-18(24)21-12-17-9-6-10-26-17)19(25)11-16-14-27-20(22-16)15-7-4-3-5-8-15/h3-10,14H,2,11-13H2,1H3,(H,21,24)
InChIKeyHYLKPFAYMJKOIK-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.58
Rot. Bonds8

About N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (PubChem CID 4788899) has the molecular formula C20H21N3O2S2 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
PubChem CID4788899
Molecular FormulaC20H21N3O2S2
Molecular Weight399.54 g/mol
Exact Mass399.11
IUPAC NameN-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C20H21N3O2S2/c1-2-23(13-18(24)21-12-17-9-6-10-26-17)19(25)11-16-14-27-20(22-16)15-7-4-3-5-8-15/h3-10,14H,2,11-13H2,1H3,(H,21,24)
InChIKeyHYLKPFAYMJKOIK-UHFFFAOYSA-N
XLogP3.58
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (CID 4788899) is N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is CCN(CC(=O)NCc1cccs1)C(=O)Cc1csc(-c2ccccc2)n1.
What is the InChIKey of N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is HYLKPFAYMJKOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S2/c1-2-23(13-18(24)21-12-17-9-6-10-26-17)19(25)11-16-14-27-20(22-16)15-7-4-3-5-8-15/h3-10,14H,2,11-13H2,1H3,(H,21,24).
What are the key properties of N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 399.54 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 4788899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).