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

C19H16ClN3O2S — CID 23630122

IUPAC2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(1,3-thiazol-5-yl)benzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cncs3)c2)c1
InChIInChI=1S/C19H16ClN3O2S/c1-11-5-12(2)7-13(6-11)18(24)22-14-3-4-16(20)15(8-14)19(25)23-17-9-21-10-26-17/h3-10H,1-2H3,(H,22,24)(H,23,25)
InChIKeyZLFBFXIWLVCQQD-UHFFFAOYSA-N
MW385.88 g/mol
LogP4.92
Rot. Bonds4

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

2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(1,3-thiazol-5-yl)benzamide (PubChem CID 23630122) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is 2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(1,3-thiazol-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(1,3-thiazol-5-yl)benzamide
PubChem CID23630122
Molecular FormulaC19H16ClN3O2S
Molecular Weight385.88 g/mol
Exact Mass385.07
IUPAC Name2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(1,3-thiazol-5-yl)benzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cncs3)c2)c1
InChIInChI=1S/C19H16ClN3O2S/c1-11-5-12(2)7-13(6-11)18(24)22-14-3-4-16(20)15(8-14)19(25)23-17-9-21-10-26-17/h3-10H,1-2H3,(H,22,24)(H,23,25)
InChIKeyZLFBFXIWLVCQQD-UHFFFAOYSA-N
XLogP4.92
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(1,3-thiazol-5-yl)benzamide?
The IUPAC name of 2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(1,3-thiazol-5-yl)benzamide (CID 23630122) is 2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(1,3-thiazol-5-yl)benzamide.
What is the SMILES notation for 2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(1,3-thiazol-5-yl)benzamide?
The canonical SMILES for 2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(1,3-thiazol-5-yl)benzamide is Cc1cc(C)cc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cncs3)c2)c1.
What is the InChIKey of 2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(1,3-thiazol-5-yl)benzamide?
The InChIKey is ZLFBFXIWLVCQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c1-11-5-12(2)7-13(6-11)18(24)22-14-3-4-16(20)15(8-14)19(25)23-17-9-21-10-26-17/h3-10H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(1,3-thiazol-5-yl)benzamide?
2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(1,3-thiazol-5-yl)benzamide has a molecular weight of 385.88 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(1,3-thiazol-5-yl)benzamide is sourced from PubChem (CID 23630122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).