1-[4-methyl-5-(3-phenylpropanoyl)thiophen-2-yl]-4-phenylmethoxypyridin-2-one

C26H23NO3S — CID 162219045

IUPAC1-[4-methyl-5-(3-phenylpropanoyl)thiophen-2-yl]-4-phenylmethoxypyridin-2-one
SMILESCc1cc(-n2ccc(OCc3ccccc3)cc2=O)sc1C(=O)CCc1ccccc1
InChIInChI=1S/C26H23NO3S/c1-19-16-25(31-26(19)23(28)13-12-20-8-4-2-5-9-20)27-15-14-22(17-24(27)29)30-18-21-10-6-3-7-11-21/h2-11,14-17H,12-13,18H2,1H3
InChIKeyZTWHWQGQYQZSAK-UHFFFAOYSA-N
MW429.54 g/mol
LogP5.60
Rot. Bonds8

About 1-[4-methyl-5-(3-phenylpropanoyl)thiophen-2-yl]-4-phenylmethoxypyridin-2-one

1-[4-methyl-5-(3-phenylpropanoyl)thiophen-2-yl]-4-phenylmethoxypyridin-2-one (PubChem CID 162219045) has the molecular formula C26H23NO3S and a molecular weight of 429.54 g/mol. Its IUPAC name is 1-[4-methyl-5-(3-phenylpropanoyl)thiophen-2-yl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[4-methyl-5-(3-phenylpropanoyl)thiophen-2-yl]-4-phenylmethoxypyridin-2-one
PubChem CID162219045
Molecular FormulaC26H23NO3S
Molecular Weight429.54 g/mol
Exact Mass429.14
IUPAC Name1-[4-methyl-5-(3-phenylpropanoyl)thiophen-2-yl]-4-phenylmethoxypyridin-2-one
SMILESCc1cc(-n2ccc(OCc3ccccc3)cc2=O)sc1C(=O)CCc1ccccc1
InChIInChI=1S/C26H23NO3S/c1-19-16-25(31-26(19)23(28)13-12-20-8-4-2-5-9-20)27-15-14-22(17-24(27)29)30-18-21-10-6-3-7-11-21/h2-11,14-17H,12-13,18H2,1H3
InChIKeyZTWHWQGQYQZSAK-UHFFFAOYSA-N
XLogP5.60
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.54
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-methyl-5-(3-phenylpropanoyl)thiophen-2-yl]-4-(2-phenylethoxy)pyridin-2-one
CID 149317799
N-benzyl-5-[4-(2-cyclopropylethoxy)-2-oxo-1-pyridinyl]-3-methylthiophene-2-carboxamide
CID 24985791
4-hydroxy-1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]pyridin-2-one
CID 159389726
1-(4-iodo-3-methylphenyl)-4-phenylmethoxypyridin-2-one
CID 143591111
1-(4-bromophenyl)-4-phenylmethoxypyridin-2-one
CID 59187025
1-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 71730920
ethyl 3,5-dimethyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)imidazole-4-carboxylate
CID 24985949
1-[2-(4-ethylphenyl)ethyl]-4-phenylmethoxypyridin-2-one
CID 91337677
N-benzyl-5-methyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)-1H-imidazole-4-carboxamide
CID 24985616
1-[4-[2-(diethylamino)ethyl-methylamino]phenyl]-4-phenylmethoxypyridin-2-one
CID 53318595
4-phenylmethoxy-1-[4-(propylamino)phenyl]pyridin-2-one
CID 24780169
1-[4-(2-oxo-4-phenylmethoxy-1-pyridinyl)phenyl]piperidine-4-carboxamide
CID 24780737

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-5-(3-phenylpropanoyl)thiophen-2-yl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[4-methyl-5-(3-phenylpropanoyl)thiophen-2-yl]-4-phenylmethoxypyridin-2-one (CID 162219045) is 1-[4-methyl-5-(3-phenylpropanoyl)thiophen-2-yl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[4-methyl-5-(3-phenylpropanoyl)thiophen-2-yl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[4-methyl-5-(3-phenylpropanoyl)thiophen-2-yl]-4-phenylmethoxypyridin-2-one is Cc1cc(-n2ccc(OCc3ccccc3)cc2=O)sc1C(=O)CCc1ccccc1.
What is the InChIKey of 1-[4-methyl-5-(3-phenylpropanoyl)thiophen-2-yl]-4-phenylmethoxypyridin-2-one?
The InChIKey is ZTWHWQGQYQZSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO3S/c1-19-16-25(31-26(19)23(28)13-12-20-8-4-2-5-9-20)27-15-14-22(17-24(27)29)30-18-21-10-6-3-7-11-21/h2-11,14-17H,12-13,18H2,1H3.
What are the key properties of 1-[4-methyl-5-(3-phenylpropanoyl)thiophen-2-yl]-4-phenylmethoxypyridin-2-one?
1-[4-methyl-5-(3-phenylpropanoyl)thiophen-2-yl]-4-phenylmethoxypyridin-2-one has a molecular weight of 429.54 g/mol, XLogP of 5.60, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-5-(3-phenylpropanoyl)thiophen-2-yl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 162219045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).