4-(3,3-dimethylbutanoylamino)-2-methoxy-N-(1,3-thiazol-2-yl)benzamide

C17H21N3O3S — CID 11473488

IUPAC4-(3,3-dimethylbutanoylamino)-2-methoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(NC(=O)CC(C)(C)C)ccc1C(=O)Nc1nccs1
InChIInChI=1S/C17H21N3O3S/c1-17(2,3)10-14(21)19-11-5-6-12(13(9-11)23-4)15(22)20-16-18-7-8-24-16/h5-9H,10H2,1-4H3,(H,19,21)(H,18,20,22)
InChIKeyQKTXEHDRNNYFGM-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.78
Rot. Bonds5

About 4-(3,3-dimethylbutanoylamino)-2-methoxy-N-(1,3-thiazol-2-yl)benzamide

4-(3,3-dimethylbutanoylamino)-2-methoxy-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 11473488) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-(3,3-dimethylbutanoylamino)-2-methoxy-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(3,3-dimethylbutanoylamino)-2-methoxy-N-(1,3-thiazol-2-yl)benzamide
PubChem CID11473488
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name4-(3,3-dimethylbutanoylamino)-2-methoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(NC(=O)CC(C)(C)C)ccc1C(=O)Nc1nccs1
InChIInChI=1S/C17H21N3O3S/c1-17(2,3)10-14(21)19-11-5-6-12(13(9-11)23-4)15(22)20-16-18-7-8-24-16/h5-9H,10H2,1-4H3,(H,19,21)(H,18,20,22)
InChIKeyQKTXEHDRNNYFGM-UHFFFAOYSA-N
XLogP3.78
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(3,3-dimethylbutanoylamino)-2-methoxy-N-(1,3-thiazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutanoylamino)-2-methoxy-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(3,3-dimethylbutanoylamino)-2-methoxy-N-(1,3-thiazol-2-yl)benzamide (CID 11473488) is 4-(3,3-dimethylbutanoylamino)-2-methoxy-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(3,3-dimethylbutanoylamino)-2-methoxy-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(3,3-dimethylbutanoylamino)-2-methoxy-N-(1,3-thiazol-2-yl)benzamide is COc1cc(NC(=O)CC(C)(C)C)ccc1C(=O)Nc1nccs1.
What is the InChIKey of 4-(3,3-dimethylbutanoylamino)-2-methoxy-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is QKTXEHDRNNYFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-17(2,3)10-14(21)19-11-5-6-12(13(9-11)23-4)15(22)20-16-18-7-8-24-16/h5-9H,10H2,1-4H3,(H,19,21)(H,18,20,22).
What are the key properties of 4-(3,3-dimethylbutanoylamino)-2-methoxy-N-(1,3-thiazol-2-yl)benzamide?
4-(3,3-dimethylbutanoylamino)-2-methoxy-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 347.44 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutanoylamino)-2-methoxy-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 11473488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).