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

C24H20N2O2S2 — CID 108738582

IUPAC4-oxo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)NCc1cccc(-c2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C24H20N2O2S2/c27-21(22-10-5-13-29-22)11-12-23(28)25-15-17-6-4-9-19(14-17)24-26-20(16-30-24)18-7-2-1-3-8-18/h1-10,13-14,16H,11-12,15H2,(H,25,28)
InChIKeyOOGGZGUKOLVZCX-UHFFFAOYSA-N
MW432.57 g/mol
LogP5.82
Rot. Bonds8

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

4-oxo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]-4-thiophen-2-ylbutanamide (PubChem CID 108738582) has the molecular formula C24H20N2O2S2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 4-oxo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound Name4-oxo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]-4-thiophen-2-ylbutanamide
PubChem CID108738582
Molecular FormulaC24H20N2O2S2
Molecular Weight432.57 g/mol
Exact Mass432.10
IUPAC Name4-oxo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)NCc1cccc(-c2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C24H20N2O2S2/c27-21(22-10-5-13-29-22)11-12-23(28)25-15-17-6-4-9-19(14-17)24-26-20(16-30-24)18-7-2-1-3-8-18/h1-10,13-14,16H,11-12,15H2,(H,25,28)
InChIKeyOOGGZGUKOLVZCX-UHFFFAOYSA-N
XLogP5.82
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-4-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanamide
CID 108738568
5-oxo-5-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide
CID 108738573
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
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide
CID 54774064
ethyl N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate
CID 108738545
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108737687
4-oxo-4-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 18168670
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]-2-(2-prop-2-enoxyphenoxy)acetamide
CID 108761354

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of 4-oxo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]-4-thiophen-2-ylbutanamide (CID 108738582) is 4-oxo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for 4-oxo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for 4-oxo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]-4-thiophen-2-ylbutanamide is O=C(CCC(=O)c1cccs1)NCc1cccc(-c2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of 4-oxo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]-4-thiophen-2-ylbutanamide?
The InChIKey is OOGGZGUKOLVZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2S2/c27-21(22-10-5-13-29-22)11-12-23(28)25-15-17-6-4-9-19(14-17)24-26-20(16-30-24)18-7-2-1-3-8-18/h1-10,13-14,16H,11-12,15H2,(H,25,28).
What are the key properties of 4-oxo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]-4-thiophen-2-ylbutanamide?
4-oxo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]-4-thiophen-2-ylbutanamide has a molecular weight of 432.57 g/mol, XLogP of 5.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 108738582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).