2-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)acetamide

C22H23N3O2S — CID 17458338

IUPAC2-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)acetamide
SMILESCC(=O)NCc1ccc(-c2csc(CC(=O)Nc3ccc(C)cc3C)n2)cc1
InChIInChI=1S/C22H23N3O2S/c1-14-4-9-19(15(2)10-14)24-21(27)11-22-25-20(13-28-22)18-7-5-17(6-8-18)12-23-16(3)26/h4-10,13H,11-12H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyQNWVXWBSWKFZLY-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.24
Rot. Bonds6

About 2-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)acetamide

2-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 17458338) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 2-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)acetamide
PubChem CID17458338
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name2-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)acetamide
SMILESCC(=O)NCc1ccc(-c2csc(CC(=O)Nc3ccc(C)cc3C)n2)cc1
InChIInChI=1S/C22H23N3O2S/c1-14-4-9-19(15(2)10-14)24-21(27)11-22-25-20(13-28-22)18-7-5-17(6-8-18)12-23-16(3)26/h4-10,13H,11-12H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyQNWVXWBSWKFZLY-UHFFFAOYSA-N
XLogP4.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-2-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide
CID 17473073
N-(2-methylphenyl)-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8963536
N-(2-methylphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8963676
2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 8963723
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-phenylacetamide
CID 108762419
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 8963664
2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 8964779
2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 9420940
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962915
N-benzyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 9233048
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-methylphenoxy)propanamide
CID 31893475
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 17402951

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)acetamide (CID 17458338) is 2-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)acetamide is CC(=O)NCc1ccc(-c2csc(CC(=O)Nc3ccc(C)cc3C)n2)cc1.
What is the InChIKey of 2-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is QNWVXWBSWKFZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-14-4-9-19(15(2)10-14)24-21(27)11-22-25-20(13-28-22)18-7-5-17(6-8-18)12-23-16(3)26/h4-10,13H,11-12H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 2-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)acetamide?
2-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 393.51 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 17458338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).