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

C21H29N3O3S — CID 24587570

IUPAC2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN(Cc1ccc(OC)cc1)C(C)Cc1cccs1
InChIInChI=1S/C21H29N3O3S/c1-4-11-22-21(26)23-20(25)15-24(16(2)13-19-6-5-12-28-19)14-17-7-9-18(27-3)10-8-17/h5-10,12,16H,4,11,13-15H2,1-3H3,(H2,22,23,25,26)
InChIKeyXEQBMUFRNDCBBC-UHFFFAOYSA-N
MW403.55 g/mol
LogP3.43
Rot. Bonds10

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

2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-(propylcarbamoyl)acetamide (PubChem CID 24587570) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-(propylcarbamoyl)acetamide
PubChem CID24587570
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC Name2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN(Cc1ccc(OC)cc1)C(C)Cc1cccs1
InChIInChI=1S/C21H29N3O3S/c1-4-11-22-21(26)23-20(25)15-24(16(2)13-19-6-5-12-28-19)14-17-7-9-18(27-3)10-8-17/h5-10,12,16H,4,11,13-15H2,1-3H3,(H2,22,23,25,26)
InChIKeyXEQBMUFRNDCBBC-UHFFFAOYSA-N
XLogP3.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 53.43
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-[(4-methylphenyl)methyl]acetamide
CID 18276993
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
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27081744
N-(1,1-dioxothiolan-3-yl)-2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-methylacetamide
CID 24587589
2-[[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide
CID 8790102
2-(4-methoxyphenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27562284
1-(4-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62602722
2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 9012728
5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
CID 16626042
1-(4-methoxyphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 63775376
4-(4-methoxyphenyl)-N-propyl-1-thiophen-2-ylbutan-2-amine
CID 61064106

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-(propylcarbamoyl)acetamide (CID 24587570) is 2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CN(Cc1ccc(OC)cc1)C(C)Cc1cccs1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-(propylcarbamoyl)acetamide?
The InChIKey is XEQBMUFRNDCBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-4-11-22-21(26)23-20(25)15-24(16(2)13-19-6-5-12-28-19)14-17-7-9-18(27-3)10-8-17/h5-10,12,16H,4,11,13-15H2,1-3H3,(H2,22,23,25,26).
What are the key properties of 2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-(propylcarbamoyl)acetamide?
2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-(propylcarbamoyl)acetamide has a molecular weight of 403.55 g/mol, XLogP of 3.43, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 24587570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).