N-(4-acetyl-1,3-thiazol-2-yl)-2-[(3-methylbenzoyl)amino]benzamide

C20H17N3O3S — CID 78820705

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-2-[(3-methylbenzoyl)amino]benzamide
SMILESCC(=O)c1csc(NC(=O)c2ccccc2NC(=O)c2cccc(C)c2)n1
InChIInChI=1S/C20H17N3O3S/c1-12-6-5-7-14(10-12)18(25)21-16-9-4-3-8-15(16)19(26)23-20-22-17(11-27-20)13(2)24/h3-11H,1-2H3,(H,21,25)(H,22,23,26)
InChIKeyICJPOHOKVSSTTF-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.16
Rot. Bonds5

About N-(4-acetyl-1,3-thiazol-2-yl)-2-[(3-methylbenzoyl)amino]benzamide

N-(4-acetyl-1,3-thiazol-2-yl)-2-[(3-methylbenzoyl)amino]benzamide (PubChem CID 78820705) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-2-[(3-methylbenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-2-[(3-methylbenzoyl)amino]benzamide
PubChem CID78820705
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-2-[(3-methylbenzoyl)amino]benzamide
SMILESCC(=O)c1csc(NC(=O)c2ccccc2NC(=O)c2cccc(C)c2)n1
InChIInChI=1S/C20H17N3O3S/c1-12-6-5-7-14(10-12)18(25)21-16-9-4-3-8-15(16)19(26)23-20-22-17(11-27-20)13(2)24/h3-11H,1-2H3,(H,21,25)(H,22,23,26)
InChIKeyICJPOHOKVSSTTF-UHFFFAOYSA-N
XLogP4.16
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dimethylbenzamide
CID 47143245
3-methyl-N-[4-(methylamino)-1,3-thiazol-2-yl]benzamide
CID 54068309
N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-5-methylbenzamide
CID 81003654
N-(4-acetyl-1,3-thiazol-2-yl)-3-hydroxy-4-methylbenzamide
CID 64544456
N-(2-carbamoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948581
N-(4-acetyl-1,3-thiazol-2-yl)-4-bromo-3-methylbenzamide
CID 112706110
2-[(3-methylbenzoyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 9172409
N-(4-acetyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide
CID 60700131
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methylbenzamide
CID 60728580
methyl 2-[2-[(3-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 35569810
N-(4-acetyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 60716919
N-(4-acetyl-1,3-thiazol-2-yl)-2-nitrobenzamide
CID 24555768

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-[(3-methylbenzoyl)amino]benzamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-[(3-methylbenzoyl)amino]benzamide (CID 78820705) is N-(4-acetyl-1,3-thiazol-2-yl)-2-[(3-methylbenzoyl)amino]benzamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-2-[(3-methylbenzoyl)amino]benzamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-2-[(3-methylbenzoyl)amino]benzamide is CC(=O)c1csc(NC(=O)c2ccccc2NC(=O)c2cccc(C)c2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-2-[(3-methylbenzoyl)amino]benzamide?
The InChIKey is ICJPOHOKVSSTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-12-6-5-7-14(10-12)18(25)21-16-9-4-3-8-15(16)19(26)23-20-22-17(11-27-20)13(2)24/h3-11H,1-2H3,(H,21,25)(H,22,23,26).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-2-[(3-methylbenzoyl)amino]benzamide?
N-(4-acetyl-1,3-thiazol-2-yl)-2-[(3-methylbenzoyl)amino]benzamide has a molecular weight of 379.44 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-2-[(3-methylbenzoyl)amino]benzamide is sourced from PubChem (CID 78820705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).