N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C16H17Cl2N3O2S — CID 34170082

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1csc(C)n1
InChIInChI=1S/C16H17Cl2N3O2S/c1-3-21(15(23)7-11-9-24-10(2)19-11)8-14(22)20-16-12(17)5-4-6-13(16)18/h4-6,9H,3,7-8H2,1-2H3,(H,20,22)
InChIKeyCHURGEZRYPOUPP-UHFFFAOYSA-N
MW386.30 g/mol
LogP3.79
Rot. Bonds6

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 34170082) has the molecular formula C16H17Cl2N3O2S and a molecular weight of 386.30 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID34170082
Molecular FormulaC16H17Cl2N3O2S
Molecular Weight386.30 g/mol
Exact Mass385.04
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1csc(C)n1
InChIInChI=1S/C16H17Cl2N3O2S/c1-3-21(15(23)7-11-9-24-10(2)19-11)8-14(22)20-16-12(17)5-4-6-13(16)18/h4-6,9H,3,7-8H2,1-2H3,(H,20,22)
InChIKeyCHURGEZRYPOUPP-UHFFFAOYSA-N
XLogP3.79
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 34170082) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide is CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1csc(C)n1.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is CHURGEZRYPOUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2S/c1-3-21(15(23)7-11-9-24-10(2)19-11)8-14(22)20-16-12(17)5-4-6-13(16)18/h4-6,9H,3,7-8H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 386.30 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 34170082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).