2-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-5-yl]benzamide

C23H19N3O2S — CID 46328829

IUPAC2-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-5-yl]benzamide
SMILESCc1ccc(C(=O)Nc2nc3cc(NC(=O)c4ccccc4C)ccc3s2)cc1
InChIInChI=1S/C23H19N3O2S/c1-14-7-9-16(10-8-14)21(27)26-23-25-19-13-17(11-12-20(19)29-23)24-22(28)18-6-4-3-5-15(18)2/h3-13H,1-2H3,(H,24,28)(H,25,26,27)
InChIKeyFOCNBMOEZRARIM-UHFFFAOYSA-N
MW401.49 g/mol
LogP5.42
Rot. Bonds4

About 2-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-5-yl]benzamide

2-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-5-yl]benzamide (PubChem CID 46328829) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is 2-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-5-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-5-yl]benzamide
PubChem CID46328829
Molecular FormulaC23H19N3O2S
Molecular Weight401.49 g/mol
Exact Mass401.12
IUPAC Name2-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-5-yl]benzamide
SMILESCc1ccc(C(=O)Nc2nc3cc(NC(=O)c4ccccc4C)ccc3s2)cc1
InChIInChI=1S/C23H19N3O2S/c1-14-7-9-16(10-8-14)21(27)26-23-25-19-13-17(11-12-20(19)29-23)24-22(28)18-6-4-3-5-15(18)2/h3-13H,1-2H3,(H,24,28)(H,25,26,27)
InChIKeyFOCNBMOEZRARIM-UHFFFAOYSA-N
XLogP5.42
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetamido-1,3-benzothiazol-5-yl)-2-methylbenzamide
CID 46328641
4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 23741959
N-[5-(butanoylamino)-1,3-benzothiazol-2-yl]-4-methylbenzamide
CID 46328837
N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]-4-methylbenzamide
CID 46379293
4-methyl-N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]benzamide
CID 46328836
N-[5-[(2,3-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46385355
N-[5-[(2-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]-4-methylbenzamide
CID 46379313
N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 141404422
N-(6-acetamido-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide
CID 4557017
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylbenzamide
CID 7193003
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methylbenzamide
CID 7189878
N-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-5-yl]benzamide
CID 50882100

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-5-yl]benzamide?
The IUPAC name of 2-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-5-yl]benzamide (CID 46328829) is 2-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-5-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-5-yl]benzamide?
The canonical SMILES for 2-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-5-yl]benzamide is Cc1ccc(C(=O)Nc2nc3cc(NC(=O)c4ccccc4C)ccc3s2)cc1.
What is the InChIKey of 2-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-5-yl]benzamide?
The InChIKey is FOCNBMOEZRARIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2S/c1-14-7-9-16(10-8-14)21(27)26-23-25-19-13-17(11-12-20(19)29-23)24-22(28)18-6-4-3-5-15(18)2/h3-13H,1-2H3,(H,24,28)(H,25,26,27).
What are the key properties of 2-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-5-yl]benzamide?
2-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-5-yl]benzamide has a molecular weight of 401.49 g/mol, XLogP of 5.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-5-yl]benzamide is sourced from PubChem (CID 46328829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).