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

C17H21N3O2S — CID 11151693

IUPAC4-(3,3-dimethylbutanoylamino)-2-methyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1cc(NC(=O)CC(C)(C)C)ccc1C(=O)Nc1nccs1
InChIInChI=1S/C17H21N3O2S/c1-11-9-12(19-14(21)10-17(2,3)4)5-6-13(11)15(22)20-16-18-7-8-23-16/h5-9H,10H2,1-4H3,(H,19,21)(H,18,20,22)
InChIKeyIRTVOPAITAMEDW-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.08
Rot. Bonds4

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

4-(3,3-dimethylbutanoylamino)-2-methyl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 11151693) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-(3,3-dimethylbutanoylamino)-2-methyl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(3,3-dimethylbutanoylamino)-2-methyl-N-(1,3-thiazol-2-yl)benzamide
PubChem CID11151693
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name4-(3,3-dimethylbutanoylamino)-2-methyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1cc(NC(=O)CC(C)(C)C)ccc1C(=O)Nc1nccs1
InChIInChI=1S/C17H21N3O2S/c1-11-9-12(19-14(21)10-17(2,3)4)5-6-13(11)15(22)20-16-18-7-8-23-16/h5-9H,10H2,1-4H3,(H,19,21)(H,18,20,22)
InChIKeyIRTVOPAITAMEDW-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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutanoylamino)-2-methyl-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(3,3-dimethylbutanoylamino)-2-methyl-N-(1,3-thiazol-2-yl)benzamide (CID 11151693) is 4-(3,3-dimethylbutanoylamino)-2-methyl-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(3,3-dimethylbutanoylamino)-2-methyl-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(3,3-dimethylbutanoylamino)-2-methyl-N-(1,3-thiazol-2-yl)benzamide is Cc1cc(NC(=O)CC(C)(C)C)ccc1C(=O)Nc1nccs1.
What is the InChIKey of 4-(3,3-dimethylbutanoylamino)-2-methyl-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is IRTVOPAITAMEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-11-9-12(19-14(21)10-17(2,3)4)5-6-13(11)15(22)20-16-18-7-8-23-16/h5-9H,10H2,1-4H3,(H,19,21)(H,18,20,22).
What are the key properties of 4-(3,3-dimethylbutanoylamino)-2-methyl-N-(1,3-thiazol-2-yl)benzamide?
4-(3,3-dimethylbutanoylamino)-2-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)-2-methyl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 11151693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).