2-phenoxy-N-[4-[2-[(2-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]phenyl]benzamide

C35H25N3O4S — CID 4138513

IUPAC2-phenoxy-N-[4-[2-[(2-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2csc(NC(=O)c3ccccc3Oc3ccccc3)n2)cc1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C35H25N3O4S/c39-33(28-15-7-9-17-31(28)41-26-11-3-1-4-12-26)36-25-21-19-24(20-22-25)30-23-43-35(37-30)38-34(40)29-16-8-10-18-32(29)42-27-13-5-2-6-14-27/h1-23H,(H,36,39)(H,37,38,40)
InChIKeyOOQNLXPYSXGBMX-UHFFFAOYSA-N
MW583.67 g/mol
LogP8.90
Rot. Bonds9

About 2-phenoxy-N-[4-[2-[(2-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]phenyl]benzamide

2-phenoxy-N-[4-[2-[(2-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]phenyl]benzamide (PubChem CID 4138513) has the molecular formula C35H25N3O4S and a molecular weight of 583.67 g/mol. Its IUPAC name is 2-phenoxy-N-[4-[2-[(2-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-phenoxy-N-[4-[2-[(2-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]phenyl]benzamide
PubChem CID4138513
Molecular FormulaC35H25N3O4S
Molecular Weight583.67 g/mol
Exact Mass583.16
IUPAC Name2-phenoxy-N-[4-[2-[(2-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2csc(NC(=O)c3ccccc3Oc3ccccc3)n2)cc1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C35H25N3O4S/c39-33(28-15-7-9-17-31(28)41-26-11-3-1-4-12-26)36-25-21-19-24(20-22-25)30-23-43-35(37-30)38-34(40)29-16-8-10-18-32(29)42-27-13-5-2-6-14-27/h1-23H,(H,36,39)(H,37,38,40)
InChIKeyOOQNLXPYSXGBMX-UHFFFAOYSA-N
XLogP8.90
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.67
LogP ≤ 58.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 9111057
2-methoxy-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4530772
2-phenoxy-N-(4-phenylphenyl)benzamide
CID 7926007
1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 1044223
N-[4-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-2-methoxybenzamide
CID 3650326
2-phenoxy-N-phenylbenzamide
CID 3402306
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4111369
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 4274968
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)benzamide
CID 60564262
N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 9166885

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[4-[2-[(2-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]phenyl]benzamide?
The IUPAC name of 2-phenoxy-N-[4-[2-[(2-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]phenyl]benzamide (CID 4138513) is 2-phenoxy-N-[4-[2-[(2-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]phenyl]benzamide.
What is the SMILES notation for 2-phenoxy-N-[4-[2-[(2-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]phenyl]benzamide?
The canonical SMILES for 2-phenoxy-N-[4-[2-[(2-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]phenyl]benzamide is O=C(Nc1ccc(-c2csc(NC(=O)c3ccccc3Oc3ccccc3)n2)cc1)c1ccccc1Oc1ccccc1.
What is the InChIKey of 2-phenoxy-N-[4-[2-[(2-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]phenyl]benzamide?
The InChIKey is OOQNLXPYSXGBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N3O4S/c39-33(28-15-7-9-17-31(28)41-26-11-3-1-4-12-26)36-25-21-19-24(20-22-25)30-23-43-35(37-30)38-34(40)29-16-8-10-18-32(29)42-27-13-5-2-6-14-27/h1-23H,(H,36,39)(H,37,38,40).
What are the key properties of 2-phenoxy-N-[4-[2-[(2-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]phenyl]benzamide?
2-phenoxy-N-[4-[2-[(2-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]phenyl]benzamide has a molecular weight of 583.67 g/mol, XLogP of 8.90, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[4-[2-[(2-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]phenyl]benzamide is sourced from PubChem (CID 4138513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).