3-(2-chlorophenoxy)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide

C25H21ClN2O2S — CID 108802336

IUPAC3-(2-chlorophenoxy)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
SMILESO=C(CCOc1ccccc1Cl)NCc1ccc(-c2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C25H21ClN2O2S/c26-21-8-4-5-9-23(21)30-15-14-24(29)27-16-18-10-12-20(13-11-18)25-28-22(17-31-25)19-6-2-1-3-7-19/h1-13,17H,14-16H2,(H,27,29)
InChIKeyZWZOEPJWVKSJOH-UHFFFAOYSA-N
MW448.98 g/mol
LogP6.22
Rot. Bonds8

About 3-(2-chlorophenoxy)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide

3-(2-chlorophenoxy)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide (PubChem CID 108802336) has the molecular formula C25H21ClN2O2S and a molecular weight of 448.98 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
PubChem CID108802336
Molecular FormulaC25H21ClN2O2S
Molecular Weight448.98 g/mol
Exact Mass448.10
IUPAC Name3-(2-chlorophenoxy)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
SMILESO=C(CCOc1ccccc1Cl)NCc1ccc(-c2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C25H21ClN2O2S/c26-21-8-4-5-9-23(21)30-15-14-24(29)27-16-18-10-12-20(13-11-18)25-28-22(17-31-25)19-6-2-1-3-7-19/h1-13,17H,14-16H2,(H,27,29)
InChIKeyZWZOEPJWVKSJOH-UHFFFAOYSA-N
XLogP6.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.98
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylphenoxy)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanamide
CID 108762394
3-(2-chlorophenoxy)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 108811086
3-(2-chlorophenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108811093
2-phenoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739624
2-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739717
N'-(4-fluorophenyl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanediamide
CID 108762347
N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-phenylpropanamide
CID 108738477
3-(1,3-dioxoisoindol-2-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
CID 108762342
2,6-dimethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 108762322
2,4-dichloro-N-[2-oxo-2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]ethyl]benzamide
CID 108762330
2-(2-chlorophenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178554
3-(2,4-dioxopyrimidin-1-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
CID 108801629

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide?
The IUPAC name of 3-(2-chlorophenoxy)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide (CID 108802336) is 3-(2-chlorophenoxy)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenoxy)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(2-chlorophenoxy)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide is O=C(CCOc1ccccc1Cl)NCc1ccc(-c2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 3-(2-chlorophenoxy)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide?
The InChIKey is ZWZOEPJWVKSJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O2S/c26-21-8-4-5-9-23(21)30-15-14-24(29)27-16-18-10-12-20(13-11-18)25-28-22(17-31-25)19-6-2-1-3-7-19/h1-13,17H,14-16H2,(H,27,29).
What are the key properties of 3-(2-chlorophenoxy)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide?
3-(2-chlorophenoxy)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide has a molecular weight of 448.98 g/mol, XLogP of 6.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 108802336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).