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

C20H18ClN3O2S — CID 23630126

IUPAC2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cnc(C)s3)c2)c1
InChIInChI=1S/C20H18ClN3O2S/c1-11-6-12(2)8-14(7-11)19(25)23-15-4-5-17(21)16(9-15)20(26)24-18-10-22-13(3)27-18/h4-10H,1-3H3,(H,23,25)(H,24,26)
InChIKeyXZLIUEHEECWURA-UHFFFAOYSA-N
MW399.90 g/mol
LogP5.23
Rot. Bonds4

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

2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide (PubChem CID 23630126) has the molecular formula C20H18ClN3O2S and a molecular weight of 399.90 g/mol. Its IUPAC name is 2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide
PubChem CID23630126
Molecular FormulaC20H18ClN3O2S
Molecular Weight399.90 g/mol
Exact Mass399.08
IUPAC Name2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cnc(C)s3)c2)c1
InChIInChI=1S/C20H18ClN3O2S/c1-11-6-12(2)8-14(7-11)19(25)23-15-4-5-17(21)16(9-15)20(26)24-18-10-22-13(3)27-18/h4-10H,1-3H3,(H,23,25)(H,24,26)
InChIKeyXZLIUEHEECWURA-UHFFFAOYSA-N
XLogP5.23
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.90
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3,5-dimethylbenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide
CID 23629682
2-Chloro-N-thiazol-5-yl-5-(3-trifluoromethyl-benzoylamino)-benzamide
CID 23630085
2-Chloro-5-[(3-chlorobenzoyl)amino]-n-1,3-thiazol-5-ylbenzamide
CID 23630121
2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-1,3-thiazol-5-ylbenzamide
CID 23630122
2-Methyl-N-(2-methyl-thiazol-5-yl)-5-(3-trifluoromethyl-benzoylamino)-benzamide
CID 23630124
2-Chloro-5-(3-chloro-benzoylamino)-N-(2-methyl-thiazol-5-yl)-benzamide
CID 23630125
2-Chloro-N-(2-methyl-thiazol-5-yl)-5-(3-trifluoromethyl-benzoylamino)-benzamide
CID 23630127
2-chloro-5-{[3-fluoro-5-(trifluoromethyl)benzoyl]amino}-N-(2-methyl-1,3-thiazol-5-yl)benzamide
CID 23630162
5-(3-Chloro-benzoylamino)-2-methyl-N-(2-methyl-thiazol-5-yl)-benzamide
CID 23630167
2-Chloro-N-(2-cyclopropyl-thiazol-5-yl)-5-(3-trifluoromethyl-benzoylamino)-benzamide
CID 44562061
2-chloro-5-[(3-chloro-5-fluorobenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide
CID 44562058
2-Chloro-N-(2-isopropyl-thiazol-5-yl)-5-(3-trifluoromethyl-benzoylamino)-benzamide
CID 44562059

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide?
The IUPAC name of 2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide (CID 23630126) is 2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide.
What is the SMILES notation for 2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide?
The canonical SMILES for 2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide is Cc1cc(C)cc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cnc(C)s3)c2)c1.
What is the InChIKey of 2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide?
The InChIKey is XZLIUEHEECWURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2S/c1-11-6-12(2)8-14(7-11)19(25)23-15-4-5-17(21)16(9-15)20(26)24-18-10-22-13(3)27-18/h4-10H,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide?
2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide has a molecular weight of 399.90 g/mol, XLogP of 5.23, 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-(2-methyl-1,3-thiazol-5-yl)benzamide is sourced from PubChem (CID 23630126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).