4-[[2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]acetyl]amino]benzamide

C24H27N3O3S — CID 24564680

IUPAC4-[[2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]acetyl]amino]benzamide
SMILESCOc1ccc(CN(CC(=O)Nc2ccc(C(N)=O)cc2)C(C)Cc2cccs2)cc1
InChIInChI=1S/C24H27N3O3S/c1-17(14-22-4-3-13-31-22)27(15-18-5-11-21(30-2)12-6-18)16-23(28)26-20-9-7-19(8-10-20)24(25)29/h3-13,17H,14-16H2,1-2H3,(H2,25,29)(H,26,28)
InChIKeyFWXKTHYORNNTHR-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.93
Rot. Bonds10

About 4-[[2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]acetyl]amino]benzamide

4-[[2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]acetyl]amino]benzamide (PubChem CID 24564680) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 4-[[2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]acetyl]amino]benzamide
PubChem CID24564680
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name4-[[2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]acetyl]amino]benzamide
SMILESCOc1ccc(CN(CC(=O)Nc2ccc(C(N)=O)cc2)C(C)Cc2cccs2)cc1
InChIInChI=1S/C24H27N3O3S/c1-17(14-22-4-3-13-31-22)27(15-18-5-11-21(30-2)12-6-18)16-23(28)26-20-9-7-19(8-10-20)24(25)29/h3-13,17H,14-16H2,1-2H3,(H2,25,29)(H,26,28)
InChIKeyFWXKTHYORNNTHR-UHFFFAOYSA-N
XLogP3.93
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-(propylcarbamoyl)acetamide
CID 24587570
2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 18276993
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]acetamide
CID 24587578
2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)propanamide
CID 18094706
N-[4-[[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]methyl]phenyl]acetamide
CID 23848174
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)acetamide
CID 113163115
2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)propanamide
CID 18078718
4-(3-thiophen-2-ylpropanoylamino)benzamide
CID 8571859
N-(1,1-dioxothiolan-3-yl)-2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-methylacetamide
CID 24587589
4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]benzamide
CID 17399698
[2-(4-carbamoylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718114
4-[[(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanoyl]amino]benzamide
CID 9054222

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]acetyl]amino]benzamide (CID 24564680) is 4-[[2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]acetyl]amino]benzamide is COc1ccc(CN(CC(=O)Nc2ccc(C(N)=O)cc2)C(C)Cc2cccs2)cc1.
What is the InChIKey of 4-[[2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]acetyl]amino]benzamide?
The InChIKey is FWXKTHYORNNTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-17(14-22-4-3-13-31-22)27(15-18-5-11-21(30-2)12-6-18)16-23(28)26-20-9-7-19(8-10-20)24(25)29/h3-13,17H,14-16H2,1-2H3,(H2,25,29)(H,26,28).
What are the key properties of 4-[[2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]acetyl]amino]benzamide?
4-[[2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]acetyl]amino]benzamide has a molecular weight of 437.57 g/mol, XLogP of 3.93, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]acetyl]amino]benzamide is sourced from PubChem (CID 24564680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).