3-[[2-(4-methoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide

C19H17N3O3S — CID 1340553

IUPAC3-[[2-(4-methoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(CC(=O)Nc2cccc(C(=O)Nc3nccs3)c2)cc1
InChIInChI=1S/C19H17N3O3S/c1-25-16-7-5-13(6-8-16)11-17(23)21-15-4-2-3-14(12-15)18(24)22-19-20-9-10-26-19/h2-10,12H,11H2,1H3,(H,21,23)(H,20,22,24)
InChIKeyZFDFZMCHGVTURG-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.59
Rot. Bonds6

About 3-[[2-(4-methoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide

3-[[2-(4-methoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 1340553) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 3-[[2-(4-methoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[[2-(4-methoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID1340553
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name3-[[2-(4-methoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(CC(=O)Nc2cccc(C(=O)Nc3nccs3)c2)cc1
InChIInChI=1S/C19H17N3O3S/c1-25-16-7-5-13(6-8-16)11-17(23)21-15-4-2-3-14(12-15)18(24)22-19-20-9-10-26-19/h2-10,12H,11H2,1H3,(H,21,23)(H,20,22,24)
InChIKeyZFDFZMCHGVTURG-UHFFFAOYSA-N
XLogP3.59
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-[[2-(4-methoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide (CID 1340553) is 3-[[2-(4-methoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-[[2-(4-methoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-[[2-(4-methoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide is COc1ccc(CC(=O)Nc2cccc(C(=O)Nc3nccs3)c2)cc1.
What is the InChIKey of 3-[[2-(4-methoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is ZFDFZMCHGVTURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-25-16-7-5-13(6-8-16)11-17(23)21-15-4-2-3-14(12-15)18(24)22-19-20-9-10-26-19/h2-10,12H,11H2,1H3,(H,21,23)(H,20,22,24).
What are the key properties of 3-[[2-(4-methoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
3-[[2-(4-methoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 367.43 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 1340553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).