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

C20H19N3O4S — CID 1085315

IUPAC4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(CC(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)cc1OC
InChIInChI=1S/C20H19N3O4S/c1-26-16-8-3-13(11-17(16)27-2)12-18(24)22-15-6-4-14(5-7-15)19(25)23-20-21-9-10-28-20/h3-11H,12H2,1-2H3,(H,22,24)(H,21,23,25)
InChIKeyPLECXKWNZNHANJ-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.59
Rot. Bonds7

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

4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 1085315) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID1085315
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(CC(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)cc1OC
InChIInChI=1S/C20H19N3O4S/c1-26-16-8-3-13(11-17(16)27-2)12-18(24)22-15-6-4-14(5-7-15)19(25)23-20-21-9-10-28-20/h3-11H,12H2,1-2H3,(H,22,24)(H,21,23,25)
InChIKeyPLECXKWNZNHANJ-UHFFFAOYSA-N
XLogP3.59
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide (CID 1085315) is 4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide is COc1ccc(CC(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)cc1OC.
What is the InChIKey of 4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is PLECXKWNZNHANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-26-16-8-3-13(11-17(16)27-2)12-18(24)22-15-6-4-14(5-7-15)19(25)23-20-21-9-10-28-20/h3-11H,12H2,1-2H3,(H,22,24)(H,21,23,25).
What are the key properties of 4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 397.46 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 1085315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).