4-(2,5-dimethylthiophen-3-yl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide

C23H24N2O4S — CID 55858632

IUPAC4-(2,5-dimethylthiophen-3-yl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide
SMILESCOc1cccc(Oc2ccc(CNC(=O)CCC(=O)c3cc(C)sc3C)cn2)c1
InChIInChI=1S/C23H24N2O4S/c1-15-11-20(16(2)30-15)21(26)8-9-22(27)24-13-17-7-10-23(25-14-17)29-19-6-4-5-18(12-19)28-3/h4-7,10-12,14H,8-9,13H2,1-3H3,(H,24,27)
InChIKeyVIXQDARLFGLFBS-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.84
Rot. Bonds9

About 4-(2,5-dimethylthiophen-3-yl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide

4-(2,5-dimethylthiophen-3-yl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide (PubChem CID 55858632) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is 4-(2,5-dimethylthiophen-3-yl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,5-dimethylthiophen-3-yl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide
PubChem CID55858632
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name4-(2,5-dimethylthiophen-3-yl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide
SMILESCOc1cccc(Oc2ccc(CNC(=O)CCC(=O)c3cc(C)sc3C)cn2)c1
InChIInChI=1S/C23H24N2O4S/c1-15-11-20(16(2)30-15)21(26)8-9-22(27)24-13-17-7-10-23(25-14-17)29-19-6-4-5-18(12-19)28-3/h4-7,10-12,14H,8-9,13H2,1-3H3,(H,24,27)
InChIKeyVIXQDARLFGLFBS-UHFFFAOYSA-N
XLogP4.84
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2,5-dimethylthiophen-3-yl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide with MolForge

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Related Compounds

4-(2,5-dimethylthiophen-3-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide
CID 55933615
2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide;dihydrochloride
CID 119847596
N-[4-[[6-(3-methoxyphenoxy)-3-pyridinyl]methylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 55857997
5-chloro-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]thiophene-2-carboxamide
CID 55800565
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(5-phenylfuran-2-yl)propanamide
CID 55800755
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 55858122
1-[(2S)-1-hydroxypropan-2-yl]-3-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]urea
CID 94055158
1-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119847608
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide
CID 55800754
(2S)-2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-methylpentanamide;dihydrochloride
CID 119847644
1-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dimethylguanidine
CID 110916201
3-chloro-4-ethoxy-5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]benzamide
CID 55800500

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide?
The IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide (CID 55858632) is 4-(2,5-dimethylthiophen-3-yl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide.
What is the SMILES notation for 4-(2,5-dimethylthiophen-3-yl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide?
The canonical SMILES for 4-(2,5-dimethylthiophen-3-yl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide is COc1cccc(Oc2ccc(CNC(=O)CCC(=O)c3cc(C)sc3C)cn2)c1.
What is the InChIKey of 4-(2,5-dimethylthiophen-3-yl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide?
The InChIKey is VIXQDARLFGLFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-15-11-20(16(2)30-15)21(26)8-9-22(27)24-13-17-7-10-23(25-14-17)29-19-6-4-5-18(12-19)28-3/h4-7,10-12,14H,8-9,13H2,1-3H3,(H,24,27).
What are the key properties of 4-(2,5-dimethylthiophen-3-yl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide?
4-(2,5-dimethylthiophen-3-yl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide has a molecular weight of 424.52 g/mol, XLogP of 4.84, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylthiophen-3-yl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide is sourced from PubChem (CID 55858632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).