N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-phenyl-1,3-thiazol-5-yl]benzamide

C24H17Cl2N3O3S — CID 46300079

IUPACN-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-phenyl-1,3-thiazol-5-yl]benzamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1
InChIInChI=1S/C24H17Cl2N3O3S/c25-17-11-12-19(18(26)13-17)32-14-20(30)27-24-28-21(15-7-3-1-4-8-15)23(33-24)29-22(31)16-9-5-2-6-10-16/h1-13H,14H2,(H,29,31)(H,27,28,30)
InChIKeyTYBJQDVTEZNDOT-UHFFFAOYSA-N
MW498.39 g/mol
LogP6.39
Rot. Bonds7

About N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-phenyl-1,3-thiazol-5-yl]benzamide

N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-phenyl-1,3-thiazol-5-yl]benzamide (PubChem CID 46300079) has the molecular formula C24H17Cl2N3O3S and a molecular weight of 498.39 g/mol. Its IUPAC name is N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-phenyl-1,3-thiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-phenyl-1,3-thiazol-5-yl]benzamide
PubChem CID46300079
Molecular FormulaC24H17Cl2N3O3S
Molecular Weight498.39 g/mol
Exact Mass497.04
IUPAC NameN-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-phenyl-1,3-thiazol-5-yl]benzamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1
InChIInChI=1S/C24H17Cl2N3O3S/c25-17-11-12-19(18(26)13-17)32-14-20(30)27-24-28-21(15-7-3-1-4-8-15)23(33-24)29-22(31)16-9-5-2-6-10-16/h1-13H,14H2,(H,29,31)(H,27,28,30)
InChIKeyTYBJQDVTEZNDOT-UHFFFAOYSA-N
XLogP6.39
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.39
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2-phenoxyacetyl)amino]-4-phenyl-1,3-thiazol-5-yl]benzamide
CID 46300029
N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide
CID 46300054
N-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-4-chlorobenzamide
CID 23889740
N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-2-chlorobenzamide
CID 46300012
4-chloro-N-[2-[[2-(2-fluorophenoxy)acetyl]amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide
CID 34306485
N-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide
CID 42387652
N-[4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]benzamide
CID 3293473
methyl N-[5-[(5-chloro-2-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065395
N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide
CID 27315818
N-[5-[(4-chlorobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 34306834
2-(2,4-dichlorophenoxy)-N-(4-phenylmethoxy-1,3-thiazol-2-yl)acetamide
CID 1323841
2-(2-bromo-4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19202180

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-phenyl-1,3-thiazol-5-yl]benzamide?
The IUPAC name of N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-phenyl-1,3-thiazol-5-yl]benzamide (CID 46300079) is N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-phenyl-1,3-thiazol-5-yl]benzamide.
What is the SMILES notation for N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-phenyl-1,3-thiazol-5-yl]benzamide?
The canonical SMILES for N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-phenyl-1,3-thiazol-5-yl]benzamide is O=C(COc1ccc(Cl)cc1Cl)Nc1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1.
What is the InChIKey of N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-phenyl-1,3-thiazol-5-yl]benzamide?
The InChIKey is TYBJQDVTEZNDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N3O3S/c25-17-11-12-19(18(26)13-17)32-14-20(30)27-24-28-21(15-7-3-1-4-8-15)23(33-24)29-22(31)16-9-5-2-6-10-16/h1-13H,14H2,(H,29,31)(H,27,28,30).
What are the key properties of N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-phenyl-1,3-thiazol-5-yl]benzamide?
N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-phenyl-1,3-thiazol-5-yl]benzamide has a molecular weight of 498.39 g/mol, XLogP of 6.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-phenyl-1,3-thiazol-5-yl]benzamide is sourced from PubChem (CID 46300079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).