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

C19H16ClN3O3S — CID 11223360

IUPAC5-chloro-2-methoxy-4-[(2-methylbenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(NC(=O)c2ccccc2C)c(Cl)cc1C(=O)Nc1nccs1
InChIInChI=1S/C19H16ClN3O3S/c1-11-5-3-4-6-12(11)17(24)22-15-10-16(26-2)13(9-14(15)20)18(25)23-19-21-7-8-27-19/h3-10H,1-2H3,(H,22,24)(H,21,23,25)
InChIKeyRJIAOBRCLCYSTL-UHFFFAOYSA-N
MW401.88 g/mol
LogP4.62
Rot. Bonds5

About 5-chloro-2-methoxy-4-[(2-methylbenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide

5-chloro-2-methoxy-4-[(2-methylbenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 11223360) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-[(2-methylbenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-[(2-methylbenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID11223360
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC Name5-chloro-2-methoxy-4-[(2-methylbenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(NC(=O)c2ccccc2C)c(Cl)cc1C(=O)Nc1nccs1
InChIInChI=1S/C19H16ClN3O3S/c1-11-5-3-4-6-12(11)17(24)22-15-10-16(26-2)13(9-14(15)20)18(25)23-19-21-7-8-27-19/h3-10H,1-2H3,(H,22,24)(H,21,23,25)
InChIKeyRJIAOBRCLCYSTL-UHFFFAOYSA-N
XLogP4.62
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-[(2-methylbenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 5-chloro-2-methoxy-4-[(2-methylbenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide (CID 11223360) is 5-chloro-2-methoxy-4-[(2-methylbenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-4-[(2-methylbenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 5-chloro-2-methoxy-4-[(2-methylbenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide is COc1cc(NC(=O)c2ccccc2C)c(Cl)cc1C(=O)Nc1nccs1.
What is the InChIKey of 5-chloro-2-methoxy-4-[(2-methylbenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is RJIAOBRCLCYSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c1-11-5-3-4-6-12(11)17(24)22-15-10-16(26-2)13(9-14(15)20)18(25)23-19-21-7-8-27-19/h3-10H,1-2H3,(H,22,24)(H,21,23,25).
What are the key properties of 5-chloro-2-methoxy-4-[(2-methylbenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide?
5-chloro-2-methoxy-4-[(2-methylbenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 401.88 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-4-[(2-methylbenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 11223360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).