N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide

C36H30N4O3S2 — CID 5212539

IUPACN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
SMILESCCc1ccc(-c2csc(NC(=O)c3ccc(Oc4ccc(C(=O)Nc5nc(-c6ccc(CC)cc6)cs5)cc4)cc3)n2)cc1
InChIInChI=1S/C36H30N4O3S2/c1-3-23-5-9-25(10-6-23)31-21-44-35(37-31)39-33(41)27-13-17-29(18-14-27)43-30-19-15-28(16-20-30)34(42)40-36-38-32(22-45-36)26-11-7-24(4-2)8-12-26/h5-22H,3-4H2,1-2H3,(H,37,39,41)(H,38,40,42)
InChIKeySOVRSXIAWMLYEK-UHFFFAOYSA-N
MW630.80 g/mol
LogP9.36
Rot. Bonds10

About N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide (PubChem CID 5212539) has the molecular formula C36H30N4O3S2 and a molecular weight of 630.80 g/mol. Its IUPAC name is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide.

Molecular Properties

Compound NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
PubChem CID5212539
Molecular FormulaC36H30N4O3S2
Molecular Weight630.80 g/mol
Exact Mass630.18
IUPAC NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
SMILESCCc1ccc(-c2csc(NC(=O)c3ccc(Oc4ccc(C(=O)Nc5nc(-c6ccc(CC)cc6)cs5)cc4)cc3)n2)cc1
InChIInChI=1S/C36H30N4O3S2/c1-3-23-5-9-25(10-6-23)31-21-44-35(37-31)39-33(41)27-13-17-29(18-14-27)43-30-19-15-28(16-20-30)34(42)40-36-38-32(22-45-36)26-11-7-24(4-2)8-12-26/h5-22H,3-4H2,1-2H3,(H,37,39,41)(H,38,40,42)
InChIKeySOVRSXIAWMLYEK-UHFFFAOYSA-N
XLogP9.36
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.80
LogP ≤ 59.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 3542120
4-(acetamidomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46820023
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(methylsulfonylmethyl)benzamide
CID 4785270
4-tert-butyl-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 19173152
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-(morpholin-4-ylmethyl)benzamide
CID 4796771
5-bromo-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 2520885
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-ethylbenzamide
CID 3255300
[4-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate
CID 108739741
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 17493085
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide
CID 43951157
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4111369

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide?
The IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide (CID 5212539) is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide.
What is the SMILES notation for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide?
The canonical SMILES for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide is CCc1ccc(-c2csc(NC(=O)c3ccc(Oc4ccc(C(=O)Nc5nc(-c6ccc(CC)cc6)cs5)cc4)cc3)n2)cc1.
What is the InChIKey of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide?
The InChIKey is SOVRSXIAWMLYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N4O3S2/c1-3-23-5-9-25(10-6-23)31-21-44-35(37-31)39-33(41)27-13-17-29(18-14-27)43-30-19-15-28(16-20-30)34(42)40-36-38-32(22-45-36)26-11-7-24(4-2)8-12-26/h5-22H,3-4H2,1-2H3,(H,37,39,41)(H,38,40,42).
What are the key properties of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide?
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide has a molecular weight of 630.80 g/mol, XLogP of 9.36, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide is sourced from PubChem (CID 5212539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).