[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate

C24H24N2O5S — CID 46694823

IUPAC[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate
SMILESCC(=O)NC(CC(=O)OCC(=O)Nc1ccccc1Oc1ccc(C)cc1)c1cccs1
InChIInChI=1S/C24H24N2O5S/c1-16-9-11-18(12-10-16)31-21-7-4-3-6-19(21)26-23(28)15-30-24(29)14-20(25-17(2)27)22-8-5-13-32-22/h3-13,20H,14-15H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyYQOVSHQXZXBRSC-UHFFFAOYSA-N
MW452.53 g/mol
LogP4.60
Rot. Bonds9

About [2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate

[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate (PubChem CID 46694823) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is [2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Name[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate
PubChem CID46694823
Molecular FormulaC24H24N2O5S
Molecular Weight452.53 g/mol
Exact Mass452.14
IUPAC Name[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate
SMILESCC(=O)NC(CC(=O)OCC(=O)Nc1ccccc1Oc1ccc(C)cc1)c1cccs1
InChIInChI=1S/C24H24N2O5S/c1-16-9-11-18(12-10-16)31-21-7-4-3-6-19(21)26-23(28)15-30-24(29)14-20(25-17(2)27)22-8-5-13-32-22/h3-13,20H,14-15H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyYQOVSHQXZXBRSC-UHFFFAOYSA-N
XLogP4.60
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate
CID 55508832
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-acetamido-3-thiophen-2-ylpropanoate
CID 46508205
[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 55465499
[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 4-methoxybenzoate
CID 41174435
[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3-acetamido-3-thiophen-2-ylpropanoate
CID 43040903
[4-[(2-methoxybenzoyl)amino]phenyl] (3R)-3-acetamido-3-thiophen-2-ylpropanoate
CID 41171136
3-acetamido-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 38505087
2-(4-fluorophenoxy)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 24681386
[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 42460546
[2-[(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)amino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate
CID 46695334
propan-2-yl 3-acetamido-3-thiophen-2-ylpropanoate
CID 112723428
3-acetamido-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-thiophen-2-ylpropanamide
CID 55573033

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate?
The IUPAC name of [2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate (CID 46694823) is [2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate.
What is the SMILES notation for [2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate?
The canonical SMILES for [2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate is CC(=O)NC(CC(=O)OCC(=O)Nc1ccccc1Oc1ccc(C)cc1)c1cccs1.
What is the InChIKey of [2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate?
The InChIKey is YQOVSHQXZXBRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S/c1-16-9-11-18(12-10-16)31-21-7-4-3-6-19(21)26-23(28)15-30-24(29)14-20(25-17(2)27)22-8-5-13-32-22/h3-13,20H,14-15H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of [2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate?
[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate has a molecular weight of 452.53 g/mol, XLogP of 4.60, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 46694823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).