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

C17H21N3O2S — CID 11313543

IUPAC4-(3,3-dimethylbutanoylamino)-3-methyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1cc(C(=O)Nc2nccs2)ccc1NC(=O)CC(C)(C)C
InChIInChI=1S/C17H21N3O2S/c1-11-9-12(15(22)20-16-18-7-8-23-16)5-6-13(11)19-14(21)10-17(2,3)4/h5-9H,10H2,1-4H3,(H,19,21)(H,18,20,22)
InChIKeyNLVRAFZOIMAUKQ-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.08
Rot. Bonds4

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

4-(3,3-dimethylbutanoylamino)-3-methyl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 11313543) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-(3,3-dimethylbutanoylamino)-3-methyl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(3,3-dimethylbutanoylamino)-3-methyl-N-(1,3-thiazol-2-yl)benzamide
PubChem CID11313543
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name4-(3,3-dimethylbutanoylamino)-3-methyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1cc(C(=O)Nc2nccs2)ccc1NC(=O)CC(C)(C)C
InChIInChI=1S/C17H21N3O2S/c1-11-9-12(15(22)20-16-18-7-8-23-16)5-6-13(11)19-14(21)10-17(2,3)4/h5-9H,10H2,1-4H3,(H,19,21)(H,18,20,22)
InChIKeyNLVRAFZOIMAUKQ-UHFFFAOYSA-N
XLogP4.08
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3,3-dimethylbutanoylamino)-3-methyl-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)-3-methyl-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(3,3-dimethylbutanoylamino)-3-methyl-N-(1,3-thiazol-2-yl)benzamide (CID 11313543) is 4-(3,3-dimethylbutanoylamino)-3-methyl-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(3,3-dimethylbutanoylamino)-3-methyl-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(3,3-dimethylbutanoylamino)-3-methyl-N-(1,3-thiazol-2-yl)benzamide is Cc1cc(C(=O)Nc2nccs2)ccc1NC(=O)CC(C)(C)C.
What is the InChIKey of 4-(3,3-dimethylbutanoylamino)-3-methyl-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is NLVRAFZOIMAUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-11-9-12(15(22)20-16-18-7-8-23-16)5-6-13(11)19-14(21)10-17(2,3)4/h5-9H,10H2,1-4H3,(H,19,21)(H,18,20,22).
What are the key properties of 4-(3,3-dimethylbutanoylamino)-3-methyl-N-(1,3-thiazol-2-yl)benzamide?
4-(3,3-dimethylbutanoylamino)-3-methyl-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 331.44 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutanoylamino)-3-methyl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 11313543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).