5-oxo-5-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide

C27H24N2O2S — CID 108738573

IUPAC5-oxo-5-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide
SMILESO=C(CCCC(=O)c1ccccc1)NCc1cccc(-c2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C27H24N2O2S/c30-25(22-12-5-2-6-13-22)15-8-16-26(31)28-18-20-9-7-14-23(17-20)27-29-24(19-32-27)21-10-3-1-4-11-21/h1-7,9-14,17,19H,8,15-16,18H2,(H,28,31)
InChIKeyUHVJLBXXUGTRAU-UHFFFAOYSA-N
MW440.57 g/mol
LogP6.15
Rot. Bonds9

About 5-oxo-5-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide

5-oxo-5-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide (PubChem CID 108738573) has the molecular formula C27H24N2O2S and a molecular weight of 440.57 g/mol. Its IUPAC name is 5-oxo-5-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name5-oxo-5-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide
PubChem CID108738573
Molecular FormulaC27H24N2O2S
Molecular Weight440.57 g/mol
Exact Mass440.16
IUPAC Name5-oxo-5-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide
SMILESO=C(CCCC(=O)c1ccccc1)NCc1cccc(-c2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C27H24N2O2S/c30-25(22-12-5-2-6-13-22)15-8-16-26(31)28-18-20-9-7-14-23(17-20)27-29-24(19-32-27)21-10-3-1-4-11-21/h1-7,9-14,17,19H,8,15-16,18H2,(H,28,31)
InChIKeyUHVJLBXXUGTRAU-UHFFFAOYSA-N
XLogP6.15
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.57
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-4-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanamide
CID 108738568
4-oxo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 108738582
3-[butyl(methyl)amino]-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
CID 108738584
5-oxo-5-phenyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pentanamide
CID 108749242
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]naphthalene-1-carboxamide
CID 108761369
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
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]-2-(2-prop-2-enoxyphenoxy)acetamide
CID 108761354
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
5-oxo-5-phenyl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pentanamide
CID 108749073

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide?
The IUPAC name of 5-oxo-5-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide (CID 108738573) is 5-oxo-5-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide.
What is the SMILES notation for 5-oxo-5-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide?
The canonical SMILES for 5-oxo-5-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide is O=C(CCCC(=O)c1ccccc1)NCc1cccc(-c2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of 5-oxo-5-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide?
The InChIKey is UHVJLBXXUGTRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2S/c30-25(22-12-5-2-6-13-22)15-8-16-26(31)28-18-20-9-7-14-23(17-20)27-29-24(19-32-27)21-10-3-1-4-11-21/h1-7,9-14,17,19H,8,15-16,18H2,(H,28,31).
What are the key properties of 5-oxo-5-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide?
5-oxo-5-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide has a molecular weight of 440.57 g/mol, XLogP of 6.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide is sourced from PubChem (CID 108738573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).