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

C22H22ClN3O2S — CID 44562060

IUPAC2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(2-propan-2-yl-1,3-thiazol-5-yl)benzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cnc(C(C)C)s3)c2)c1
InChIInChI=1S/C22H22ClN3O2S/c1-12(2)22-24-11-19(29-22)26-21(28)17-10-16(5-6-18(17)23)25-20(27)15-8-13(3)7-14(4)9-15/h5-12H,1-4H3,(H,25,27)(H,26,28)
InChIKeyPYSDMOIFDZZCNU-UHFFFAOYSA-N
MW427.96 g/mol
LogP6.04
Rot. Bonds5

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

2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(2-propan-2-yl-1,3-thiazol-5-yl)benzamide (PubChem CID 44562060) has the molecular formula C22H22ClN3O2S and a molecular weight of 427.96 g/mol. Its IUPAC name is 2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(2-propan-2-yl-1,3-thiazol-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(2-propan-2-yl-1,3-thiazol-5-yl)benzamide
PubChem CID44562060
Molecular FormulaC22H22ClN3O2S
Molecular Weight427.96 g/mol
Exact Mass427.11
IUPAC Name2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(2-propan-2-yl-1,3-thiazol-5-yl)benzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cnc(C(C)C)s3)c2)c1
InChIInChI=1S/C22H22ClN3O2S/c1-12(2)22-24-11-19(29-22)26-21(28)17-10-16(5-6-18(17)23)25-20(27)15-8-13(3)7-14(4)9-15/h5-12H,1-4H3,(H,25,27)(H,26,28)
InChIKeyPYSDMOIFDZZCNU-UHFFFAOYSA-N
XLogP6.04
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.96
LogP ≤ 56.04
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-5-[(3,5-dimethylbenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide
CID 23630126
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(2-propan-2-yl-1,3-thiazol-5-yl)benzamide?
The IUPAC name of 2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(2-propan-2-yl-1,3-thiazol-5-yl)benzamide (CID 44562060) is 2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(2-propan-2-yl-1,3-thiazol-5-yl)benzamide.
What is the SMILES notation for 2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(2-propan-2-yl-1,3-thiazol-5-yl)benzamide?
The canonical SMILES for 2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(2-propan-2-yl-1,3-thiazol-5-yl)benzamide is Cc1cc(C)cc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cnc(C(C)C)s3)c2)c1.
What is the InChIKey of 2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(2-propan-2-yl-1,3-thiazol-5-yl)benzamide?
The InChIKey is PYSDMOIFDZZCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2S/c1-12(2)22-24-11-19(29-22)26-21(28)17-10-16(5-6-18(17)23)25-20(27)15-8-13(3)7-14(4)9-15/h5-12H,1-4H3,(H,25,27)(H,26,28).
What are the key properties of 2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(2-propan-2-yl-1,3-thiazol-5-yl)benzamide?
2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(2-propan-2-yl-1,3-thiazol-5-yl)benzamide has a molecular weight of 427.96 g/mol, XLogP of 6.04, 5 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-propan-2-yl-1,3-thiazol-5-yl)benzamide is sourced from PubChem (CID 44562060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).