5-[(3,5-dimethylbenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide

C21H21N3O2S — CID 23629682

IUPAC5-[(3,5-dimethylbenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(C)c(C(=O)Nc3cnc(C)s3)c2)c1
InChIInChI=1S/C21H21N3O2S/c1-12-7-13(2)9-16(8-12)20(25)23-17-6-5-14(3)18(10-17)21(26)24-19-11-22-15(4)27-19/h5-11H,1-4H3,(H,23,25)(H,24,26)
InChIKeyZQMHHBVZWPGULV-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.88
Rot. Bonds4

About 5-[(3,5-dimethylbenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide

5-[(3,5-dimethylbenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide (PubChem CID 23629682) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 5-[(3,5-dimethylbenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide.

Molecular Properties

Compound Name5-[(3,5-dimethylbenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide
PubChem CID23629682
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name5-[(3,5-dimethylbenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(C)c(C(=O)Nc3cnc(C)s3)c2)c1
InChIInChI=1S/C21H21N3O2S/c1-12-7-13(2)9-16(8-12)20(25)23-17-6-5-14(3)18(10-17)21(26)24-19-11-22-15(4)27-19/h5-11H,1-4H3,(H,23,25)(H,24,26)
InChIKeyZQMHHBVZWPGULV-UHFFFAOYSA-N
XLogP4.88
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylbenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide?
The IUPAC name of 5-[(3,5-dimethylbenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide (CID 23629682) is 5-[(3,5-dimethylbenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide.
What is the SMILES notation for 5-[(3,5-dimethylbenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide?
The canonical SMILES for 5-[(3,5-dimethylbenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide is Cc1cc(C)cc(C(=O)Nc2ccc(C)c(C(=O)Nc3cnc(C)s3)c2)c1.
What is the InChIKey of 5-[(3,5-dimethylbenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide?
The InChIKey is ZQMHHBVZWPGULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-12-7-13(2)9-16(8-12)20(25)23-17-6-5-14(3)18(10-17)21(26)24-19-11-22-15(4)27-19/h5-11H,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 5-[(3,5-dimethylbenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide?
5-[(3,5-dimethylbenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide has a molecular weight of 379.49 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylbenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide is sourced from PubChem (CID 23629682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).