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

C20H19ClN2O2S — CID 18230517

IUPAC2-(4-chloro-2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESCc1nc(-c2ccc(NC(=O)C(C)Oc3ccc(Cl)cc3C)cc2)cs1
InChIInChI=1S/C20H19ClN2O2S/c1-12-10-16(21)6-9-19(12)25-13(2)20(24)23-17-7-4-15(5-8-17)18-11-26-14(3)22-18/h4-11,13H,1-3H3,(H,23,24)
InChIKeyNEAGXVAJGWWBTL-UHFFFAOYSA-N
MW386.90 g/mol
LogP5.49
Rot. Bonds5

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

2-(4-chloro-2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide (PubChem CID 18230517) has the molecular formula C20H19ClN2O2S and a molecular weight of 386.90 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
PubChem CID18230517
Molecular FormulaC20H19ClN2O2S
Molecular Weight386.90 g/mol
Exact Mass386.09
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESCc1nc(-c2ccc(NC(=O)C(C)Oc3ccc(Cl)cc3C)cc2)cs1
InChIInChI=1S/C20H19ClN2O2S/c1-12-10-16(21)6-9-19(12)25-13(2)20(24)23-17-7-4-15(5-8-17)18-11-26-14(3)22-18/h4-11,13H,1-3H3,(H,23,24)
InChIKeyNEAGXVAJGWWBTL-UHFFFAOYSA-N
XLogP5.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.90
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 4192388
2-(4-chloro-2-methylphenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 112764343
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 19194806
(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
CID 723976
2-(4-chloro-2-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 2932686
methyl 4-[[(2S)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]benzoate
CID 723990
(2R)-N-(3-chloro-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 2683063
(2R)-2-(4-chloro-2-methylphenoxy)-N-(3-chlorophenyl)propanamide
CID 874173
2-(4-chloro-2-methylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19194808
N-(3-chlorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 24561871
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 3413795
(2R)-2-(4-chloro-2-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 1294665

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide (CID 18230517) is 2-(4-chloro-2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide is Cc1nc(-c2ccc(NC(=O)C(C)Oc3ccc(Cl)cc3C)cc2)cs1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide?
The InChIKey is NEAGXVAJGWWBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2S/c1-12-10-16(21)6-9-19(12)25-13(2)20(24)23-17-7-4-15(5-8-17)18-11-26-14(3)22-18/h4-11,13H,1-3H3,(H,23,24).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide?
2-(4-chloro-2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide has a molecular weight of 386.90 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 18230517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).