4-acetamido-5-chloro-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methoxybenzamide

C21H20ClN3O3S — CID 6490623

IUPAC4-acetamido-5-chloro-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methoxybenzamide
SMILESCCc1sc(NC(=O)c2cc(Cl)c(NC(C)=O)cc2OC)nc1-c1ccccc1
InChIInChI=1S/C21H20ClN3O3S/c1-4-18-19(13-8-6-5-7-9-13)24-21(29-18)25-20(27)14-10-15(22)16(23-12(2)26)11-17(14)28-3/h5-11H,4H2,1-3H3,(H,23,26)(H,24,25,27)
InChIKeyIVLPTWLUXBEZFM-UHFFFAOYSA-N
MW429.93 g/mol
LogP5.25
Rot. Bonds6

About 4-acetamido-5-chloro-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methoxybenzamide

4-acetamido-5-chloro-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methoxybenzamide (PubChem CID 6490623) has the molecular formula C21H20ClN3O3S and a molecular weight of 429.93 g/mol. Its IUPAC name is 4-acetamido-5-chloro-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-acetamido-5-chloro-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methoxybenzamide
PubChem CID6490623
Molecular FormulaC21H20ClN3O3S
Molecular Weight429.93 g/mol
Exact Mass429.09
IUPAC Name4-acetamido-5-chloro-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methoxybenzamide
SMILESCCc1sc(NC(=O)c2cc(Cl)c(NC(C)=O)cc2OC)nc1-c1ccccc1
InChIInChI=1S/C21H20ClN3O3S/c1-4-18-19(13-8-6-5-7-9-13)24-21(29-18)25-20(27)14-10-15(22)16(23-12(2)26)11-17(14)28-3/h5-11H,4H2,1-3H3,(H,23,26)(H,24,25,27)
InChIKeyIVLPTWLUXBEZFM-UHFFFAOYSA-N
XLogP5.25
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.93
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-5-chloro-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methoxybenzamide?
The IUPAC name of 4-acetamido-5-chloro-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methoxybenzamide (CID 6490623) is 4-acetamido-5-chloro-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methoxybenzamide.
What is the SMILES notation for 4-acetamido-5-chloro-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methoxybenzamide?
The canonical SMILES for 4-acetamido-5-chloro-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methoxybenzamide is CCc1sc(NC(=O)c2cc(Cl)c(NC(C)=O)cc2OC)nc1-c1ccccc1.
What is the InChIKey of 4-acetamido-5-chloro-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methoxybenzamide?
The InChIKey is IVLPTWLUXBEZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3S/c1-4-18-19(13-8-6-5-7-9-13)24-21(29-18)25-20(27)14-10-15(22)16(23-12(2)26)11-17(14)28-3/h5-11H,4H2,1-3H3,(H,23,26)(H,24,25,27).
What are the key properties of 4-acetamido-5-chloro-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methoxybenzamide?
4-acetamido-5-chloro-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methoxybenzamide has a molecular weight of 429.93 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-5-chloro-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methoxybenzamide is sourced from PubChem (CID 6490623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).