2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-[(4-methylphenyl)methyl]acetamide

C25H30N2O2S — CID 18276993

IUPAC2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCOc1ccc(CN(CC(=O)NCc2ccc(C)cc2)C(C)Cc2cccs2)cc1
InChIInChI=1S/C25H30N2O2S/c1-19-6-8-21(9-7-19)16-26-25(28)18-27(20(2)15-24-5-4-14-30-24)17-22-10-12-23(29-3)13-11-22/h4-14,20H,15-18H2,1-3H3,(H,26,28)
InChIKeyWINPKGZONDMYTJ-UHFFFAOYSA-N
MW422.59 g/mol
LogP4.81
Rot. Bonds10

About 2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-[(4-methylphenyl)methyl]acetamide

2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 18276993) has the molecular formula C25H30N2O2S and a molecular weight of 422.59 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID18276993
Molecular FormulaC25H30N2O2S
Molecular Weight422.59 g/mol
Exact Mass422.20
IUPAC Name2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCOc1ccc(CN(CC(=O)NCc2ccc(C)cc2)C(C)Cc2cccs2)cc1
InChIInChI=1S/C25H30N2O2S/c1-19-6-8-21(9-7-19)16-26-25(28)18-27(20(2)15-24-5-4-14-30-24)17-22-10-12-23(29-3)13-11-22/h4-14,20H,15-18H2,1-3H3,(H,26,28)
InChIKeyWINPKGZONDMYTJ-UHFFFAOYSA-N
XLogP4.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.59
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-(propylcarbamoyl)acetamide
CID 24587570
4-[[2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]acetyl]amino]benzamide
CID 24564680
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]acetamide
CID 24587578
N-[(4-methylphenyl)methyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 26512957
2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 110296913
N-(1,1-dioxothiolan-3-yl)-2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-methylacetamide
CID 24587589
2-[[(4-methoxyphenyl)methyl-[(2R)-1-thiophen-2-ylpropan-2-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 51535879
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-benzylacetamide
CID 113163044
N-[(4-methoxyphenyl)methyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9051908
N-benzyl-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 110296909
N-[(4-methylphenyl)methyl]-5-thiophen-2-ylpentanamide
CID 4290554
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-[(4-methylphenyl)methyl]acetamide (CID 18276993) is 2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-[(4-methylphenyl)methyl]acetamide is COc1ccc(CN(CC(=O)NCc2ccc(C)cc2)C(C)Cc2cccs2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is WINPKGZONDMYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2S/c1-19-6-8-21(9-7-19)16-26-25(28)18-27(20(2)15-24-5-4-14-30-24)17-22-10-12-23(29-3)13-11-22/h4-14,20H,15-18H2,1-3H3,(H,26,28).
What are the key properties of 2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-[(4-methylphenyl)methyl]acetamide?
2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 422.59 g/mol, XLogP of 4.81, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 18276993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).