2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide

C26H30N2O5S — CID 3210930

IUPAC2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOCCN(C(=O)Cc1cccs1)C(C(=O)NCc1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C26H30N2O5S/c1-31-15-14-28(24(29)17-23-5-4-16-34-23)25(20-8-12-22(33-3)13-9-20)26(30)27-18-19-6-10-21(32-2)11-7-19/h4-13,16,25H,14-15,17-18H2,1-3H3,(H,27,30)
InChIKeyPKMPYZYTZCVUJD-UHFFFAOYSA-N
MW482.60 g/mol
LogP3.84
Rot. Bonds12

About 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide

2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 3210930) has the molecular formula C26H30N2O5S and a molecular weight of 482.60 g/mol. Its IUPAC name is 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID3210930
Molecular FormulaC26H30N2O5S
Molecular Weight482.60 g/mol
Exact Mass482.19
IUPAC Name2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOCCN(C(=O)Cc1cccs1)C(C(=O)NCc1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C26H30N2O5S/c1-31-15-14-28(24(29)17-23-5-4-16-34-23)25(20-8-12-22(33-3)13-9-20)26(30)27-18-19-6-10-21(32-2)11-7-19/h4-13,16,25H,14-15,17-18H2,1-3H3,(H,27,30)
InChIKeyPKMPYZYTZCVUJD-UHFFFAOYSA-N
XLogP3.84
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-Methoxy-benzyl)-2-thiophen-2-yl-acetamide
CID 670019
2-(4-Isopropyl-phenyl)-N-(4-methoxy-benzyl)-2-[(2-methoxy-ethyl)-(2-thiophen-2-yl-acetyl)-amino]-acetamide
CID 3210926
4-[(2R)-2-{[2-oxo-2-(thiophen-3-yl)ethyl]amino}propoxy]benzamide
CID 23647085
4-(Benzyloxy)-N-[(2s,3r)-3-Hydroxy-1-{[(2s)-1-{[(3-Methylthiophen-2-Yl)methyl]amino}-1-Oxo-4-Phenylbutan-2-Yl]amino}-1-Oxobutan-2-Yl]benzamide
CID 52943040
N-(Cyclopentylcarbamoyl-thiophen-2-yl-methyl)-2,2,2-trifluoro-N-[2-(4-methoxy-phenyl)-ethyl]-acetamide
CID 3153715
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 2363992
N-[1-(4-methoxyphenyl)ethyl]-2-(thiophen-2-yl)acetamide
CID 6466745
4-methoxy-N-[(2S)-3-methyl-1-oxo-1-(3-phenylsulfanylpropylamino)butan-2-yl]benzamide
CID 7999895
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 24818172
Flaviviruses-IN-2
CID 3378615
4-(4-Methoxy-phenyl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 3649035
(1S,2S)-N-((R)-2-Hydroxy-1-(4-((S)-2-methylbutoxy)phenyl)ethyl)-2-(thiophen-2-yl)cyclopropanecarboxamide
CID 51348369

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide (CID 3210930) is 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide is COCCN(C(=O)Cc1cccs1)C(C(=O)NCc1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is PKMPYZYTZCVUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5S/c1-31-15-14-28(24(29)17-23-5-4-16-34-23)25(20-8-12-22(33-3)13-9-20)26(30)27-18-19-6-10-21(32-2)11-7-19/h4-13,16,25H,14-15,17-18H2,1-3H3,(H,27,30).
What are the key properties of 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide?
2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 482.60 g/mol, XLogP of 3.84, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 3210930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).