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

C24H26N2O4S — CID 55933615

IUPAC4-(2,5-dimethylthiophen-3-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide
SMILESCCOc1ccccc1Oc1ccc(CNC(=O)CCC(=O)c2cc(C)sc2C)cn1
InChIInChI=1S/C24H26N2O4S/c1-4-29-21-7-5-6-8-22(21)30-24-12-9-18(15-26-24)14-25-23(28)11-10-20(27)19-13-16(2)31-17(19)3/h5-9,12-13,15H,4,10-11,14H2,1-3H3,(H,25,28)
InChIKeyZCAGQEKLWATQOR-UHFFFAOYSA-N
MW438.55 g/mol
LogP5.23
Rot. Bonds10

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

4-(2,5-dimethylthiophen-3-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide (PubChem CID 55933615) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 4-(2,5-dimethylthiophen-3-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,5-dimethylthiophen-3-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide
PubChem CID55933615
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name4-(2,5-dimethylthiophen-3-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide
SMILESCCOc1ccccc1Oc1ccc(CNC(=O)CCC(=O)c2cc(C)sc2C)cn1
InChIInChI=1S/C24H26N2O4S/c1-4-29-21-7-5-6-8-22(21)30-24-12-9-18(15-26-24)14-25-23(28)11-10-20(27)19-13-16(2)31-17(19)3/h5-9,12-13,15H,4,10-11,14H2,1-3H3,(H,25,28)
InChIKeyZCAGQEKLWATQOR-UHFFFAOYSA-N
XLogP5.23
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.55
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-(2,5-dimethylthiophen-3-yl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide
CID 55858632
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 87006587
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55805473
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 55805570
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47065602
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55805483
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-pyridin-2-ylurea
CID 55821483
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide
CID 87006586
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
CID 86882869
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide
CID 47066017
1-benzyl-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 110952298
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-methyl-3-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111901120

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide?
The IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide (CID 55933615) is 4-(2,5-dimethylthiophen-3-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide.
What is the SMILES notation for 4-(2,5-dimethylthiophen-3-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide?
The canonical SMILES for 4-(2,5-dimethylthiophen-3-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide is CCOc1ccccc1Oc1ccc(CNC(=O)CCC(=O)c2cc(C)sc2C)cn1.
What is the InChIKey of 4-(2,5-dimethylthiophen-3-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide?
The InChIKey is ZCAGQEKLWATQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-4-29-21-7-5-6-8-22(21)30-24-12-9-18(15-26-24)14-25-23(28)11-10-20(27)19-13-16(2)31-17(19)3/h5-9,12-13,15H,4,10-11,14H2,1-3H3,(H,25,28).
What are the key properties of 4-(2,5-dimethylthiophen-3-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide?
4-(2,5-dimethylthiophen-3-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide has a molecular weight of 438.55 g/mol, XLogP of 5.23, 10 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-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide is sourced from PubChem (CID 55933615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).