4-(4-methylphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-oxobutanamide

C22H22N2O2S — CID 108737518

IUPAC4-(4-methylphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NCc2csc(-c3ccccc3C)n2)cc1
InChIInChI=1S/C22H22N2O2S/c1-15-7-9-17(10-8-15)20(25)11-12-21(26)23-13-18-14-27-22(24-18)19-6-4-3-5-16(19)2/h3-10,14H,11-13H2,1-2H3,(H,23,26)
InChIKeyJUOYJJACGJKXGH-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.71
Rot. Bonds7

About 4-(4-methylphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-oxobutanamide

4-(4-methylphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-oxobutanamide (PubChem CID 108737518) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-oxobutanamide
PubChem CID108737518
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC Name4-(4-methylphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NCc2csc(-c3ccccc3C)n2)cc1
InChIInChI=1S/C22H22N2O2S/c1-15-7-9-17(10-8-15)20(25)11-12-21(26)23-13-18-14-27-22(24-18)19-6-4-3-5-16(19)2/h3-10,14H,11-13H2,1-2H3,(H,23,26)
InChIKeyJUOYJJACGJKXGH-UHFFFAOYSA-N
XLogP4.71
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]butanamide
CID 108737483
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-phenylbutanamide
CID 47290668
2-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108737460
N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-phenylbutanamide
CID 108748072
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 6467576
4-(4-methoxyphenyl)-4-oxo-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 108749253
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 108737407
3-chloro-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108760326
3-fluoro-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108737461
4-(4-methoxyphenyl)-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-4-oxobutanamide
CID 108738448
3-indolo[3,2-b]quinoxalin-6-yl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108737510
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxo-5-phenylpentanamide
CID 108737365

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-oxobutanamide?
The IUPAC name of 4-(4-methylphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-oxobutanamide (CID 108737518) is 4-(4-methylphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-methylphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-methylphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)NCc2csc(-c3ccccc3C)n2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-oxobutanamide?
The InChIKey is JUOYJJACGJKXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-15-7-9-17(10-8-15)20(25)11-12-21(26)23-13-18-14-27-22(24-18)19-6-4-3-5-16(19)2/h3-10,14H,11-13H2,1-2H3,(H,23,26).
What are the key properties of 4-(4-methylphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-oxobutanamide?
4-(4-methylphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-oxobutanamide has a molecular weight of 378.50 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-oxobutanamide is sourced from PubChem (CID 108737518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).