4-oxo-4-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanamide

C26H22N2O2S — CID 108738568

IUPAC4-oxo-4-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanamide
SMILESO=C(CCC(=O)c1ccccc1)NCc1cccc(-c2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C26H22N2O2S/c29-24(21-11-5-2-6-12-21)14-15-25(30)27-17-19-8-7-13-22(16-19)26-28-23(18-31-26)20-9-3-1-4-10-20/h1-13,16,18H,14-15,17H2,(H,27,30)
InChIKeyRPEJZFXSJPGNPE-UHFFFAOYSA-N
MW426.54 g/mol
LogP5.76
Rot. Bonds8

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

4-oxo-4-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanamide (PubChem CID 108738568) has the molecular formula C26H22N2O2S and a molecular weight of 426.54 g/mol. Its IUPAC name is 4-oxo-4-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-oxo-4-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanamide
PubChem CID108738568
Molecular FormulaC26H22N2O2S
Molecular Weight426.54 g/mol
Exact Mass426.14
IUPAC Name4-oxo-4-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanamide
SMILESO=C(CCC(=O)c1ccccc1)NCc1cccc(-c2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C26H22N2O2S/c29-24(21-11-5-2-6-12-21)14-15-25(30)27-17-19-8-7-13-22(16-19)26-28-23(18-31-26)20-9-3-1-4-10-20/h1-13,16,18H,14-15,17H2,(H,27,30)
InChIKeyRPEJZFXSJPGNPE-UHFFFAOYSA-N
XLogP5.76
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.54
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-5-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide
CID 108738573
4-oxo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 108738582
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]naphthalene-1-carboxamide
CID 108761369
3-[butyl(methyl)amino]-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
CID 108738584
2-(2-methoxyethoxy)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108738527
2-cyclohexyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108761273
2-(3,5-dimethylphenoxy)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108738591
ethyl N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate
CID 108738545
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide
CID 54774064
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]-2-(2-prop-2-enoxyphenoxy)acetamide
CID 108761354
4-nitro-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 54774026
4-(4-methoxyphenyl)-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-4-oxobutanamide
CID 108738448

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanamide?
The IUPAC name of 4-oxo-4-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanamide (CID 108738568) is 4-oxo-4-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanamide.
What is the SMILES notation for 4-oxo-4-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanamide?
The canonical SMILES for 4-oxo-4-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanamide is O=C(CCC(=O)c1ccccc1)NCc1cccc(-c2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of 4-oxo-4-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanamide?
The InChIKey is RPEJZFXSJPGNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O2S/c29-24(21-11-5-2-6-12-21)14-15-25(30)27-17-19-8-7-13-22(16-19)26-28-23(18-31-26)20-9-3-1-4-10-20/h1-13,16,18H,14-15,17H2,(H,27,30).
What are the key properties of 4-oxo-4-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanamide?
4-oxo-4-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanamide has a molecular weight of 426.54 g/mol, XLogP of 5.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanamide is sourced from PubChem (CID 108738568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).