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

C27H25NO3S — CID 149317799

IUPAC1-[4-methyl-5-(3-phenylpropanoyl)thiophen-2-yl]-4-(2-phenylethoxy)pyridin-2-one
SMILESCc1cc(-n2ccc(OCCc3ccccc3)cc2=O)sc1C(=O)CCc1ccccc1
InChIInChI=1S/C27H25NO3S/c1-20-18-26(32-27(20)24(29)13-12-21-8-4-2-5-9-21)28-16-14-23(19-25(28)30)31-17-15-22-10-6-3-7-11-22/h2-11,14,16,18-19H,12-13,15,17H2,1H3
InChIKeyXZVXUKVFLVTPNH-UHFFFAOYSA-N
MW443.57 g/mol
LogP5.64
Rot. Bonds9

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

1-[4-methyl-5-(3-phenylpropanoyl)thiophen-2-yl]-4-(2-phenylethoxy)pyridin-2-one (PubChem CID 149317799) has the molecular formula C27H25NO3S and a molecular weight of 443.57 g/mol. Its IUPAC name is 1-[4-methyl-5-(3-phenylpropanoyl)thiophen-2-yl]-4-(2-phenylethoxy)pyridin-2-one.

Molecular Properties

Compound Name1-[4-methyl-5-(3-phenylpropanoyl)thiophen-2-yl]-4-(2-phenylethoxy)pyridin-2-one
PubChem CID149317799
Molecular FormulaC27H25NO3S
Molecular Weight443.57 g/mol
Exact Mass443.16
IUPAC Name1-[4-methyl-5-(3-phenylpropanoyl)thiophen-2-yl]-4-(2-phenylethoxy)pyridin-2-one
SMILESCc1cc(-n2ccc(OCCc3ccccc3)cc2=O)sc1C(=O)CCc1ccccc1
InChIInChI=1S/C27H25NO3S/c1-20-18-26(32-27(20)24(29)13-12-21-8-4-2-5-9-21)28-16-14-23(19-25(28)30)31-17-15-22-10-6-3-7-11-22/h2-11,14,16,18-19H,12-13,15,17H2,1H3
InChIKeyXZVXUKVFLVTPNH-UHFFFAOYSA-N
XLogP5.64
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.57
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-methyl-5-(3-phenylpropanoyl)thiophen-2-yl]-4-phenylmethoxypyridin-2-one
CID 162219045
4-hydroxy-1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]pyridin-2-one
CID 159389726
1-(3-methylthiophen-2-yl)-3-phenylpropan-1-one
CID 59179659
4-methyl-2-[3-(2-phenylethoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 20991003
3,4-dimethyl-1-[3-(2-phenylethoxy)phenyl]imidazol-2-one
CID 134104792
2-methyl-4-(3-phenylpropoxy)benzoic acid
CID 81293485
1-benzyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)thiophen-2-yl]imidazolidin-2-one
CID 58031677
1-(4-iodo-3-methylphenyl)-4-phenylmethoxypyridin-2-one
CID 143591111
1-(2,5-dimethylthiophen-3-yl)-3-phenylpropan-1-one
CID 43161377
1-[2-[4-(3-oxobutyl)phenoxy]ethyl]pyridin-2-one
CID 82898830
1-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 71730920
3-(2-phenylethoxy)benzamide
CID 17135006

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-5-(3-phenylpropanoyl)thiophen-2-yl]-4-(2-phenylethoxy)pyridin-2-one?
The IUPAC name of 1-[4-methyl-5-(3-phenylpropanoyl)thiophen-2-yl]-4-(2-phenylethoxy)pyridin-2-one (CID 149317799) is 1-[4-methyl-5-(3-phenylpropanoyl)thiophen-2-yl]-4-(2-phenylethoxy)pyridin-2-one.
What is the SMILES notation for 1-[4-methyl-5-(3-phenylpropanoyl)thiophen-2-yl]-4-(2-phenylethoxy)pyridin-2-one?
The canonical SMILES for 1-[4-methyl-5-(3-phenylpropanoyl)thiophen-2-yl]-4-(2-phenylethoxy)pyridin-2-one is Cc1cc(-n2ccc(OCCc3ccccc3)cc2=O)sc1C(=O)CCc1ccccc1.
What is the InChIKey of 1-[4-methyl-5-(3-phenylpropanoyl)thiophen-2-yl]-4-(2-phenylethoxy)pyridin-2-one?
The InChIKey is XZVXUKVFLVTPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO3S/c1-20-18-26(32-27(20)24(29)13-12-21-8-4-2-5-9-21)28-16-14-23(19-25(28)30)31-17-15-22-10-6-3-7-11-22/h2-11,14,16,18-19H,12-13,15,17H2,1H3.
What are the key properties of 1-[4-methyl-5-(3-phenylpropanoyl)thiophen-2-yl]-4-(2-phenylethoxy)pyridin-2-one?
1-[4-methyl-5-(3-phenylpropanoyl)thiophen-2-yl]-4-(2-phenylethoxy)pyridin-2-one has a molecular weight of 443.57 g/mol, XLogP of 5.64, 9 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-(2-phenylethoxy)pyridin-2-one is sourced from PubChem (CID 149317799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).