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

C21H19F2N3O2S — CID 24979766

IUPACN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C21H19F2N3O2S/c1-2-26(12-18(27)25-20-16(22)9-6-10-17(20)23)19(28)11-15-13-29-21(24-15)14-7-4-3-5-8-14/h3-10,13H,2,11-12H2,1H3,(H,25,27)
InChIKeyFBNSRSOUDWJCBP-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.12
Rot. Bonds7

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

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (PubChem CID 24979766) has the molecular formula C21H19F2N3O2S and a molecular weight of 415.47 g/mol. Its IUPAC name is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
PubChem CID24979766
Molecular FormulaC21H19F2N3O2S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C21H19F2N3O2S/c1-2-26(12-18(27)25-20-16(22)9-6-10-17(20)23)19(28)11-15-13-29-21(24-15)14-7-4-3-5-8-14/h3-10,13H,2,11-12H2,1H3,(H,25,27)
InChIKeyFBNSRSOUDWJCBP-UHFFFAOYSA-N
XLogP4.12
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.12
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-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (CID 24979766) is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)Cc1csc(-c2ccccc2)n1.
What is the InChIKey of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is FBNSRSOUDWJCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O2S/c1-2-26(12-18(27)25-20-16(22)9-6-10-17(20)23)19(28)11-15-13-29-21(24-15)14-7-4-3-5-8-14/h3-10,13H,2,11-12H2,1H3,(H,25,27).
What are the key properties of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(2-phenyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 415.47 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 24979766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).