N-(2-methoxyphenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-propylamino]acetamide

C20H27N3O3S — CID 51171423

IUPACN-(2-methoxyphenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)CC(=O)N(C)Cc1cccs1
InChIInChI=1S/C20H27N3O3S/c1-4-11-23(15-20(25)22(2)13-16-8-7-12-27-16)14-19(24)21-17-9-5-6-10-18(17)26-3/h5-10,12H,4,11,13-15H2,1-3H3,(H,21,24)
InChIKeyHDURIRINWMDOOW-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.07
Rot. Bonds10

About N-(2-methoxyphenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-propylamino]acetamide

N-(2-methoxyphenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-propylamino]acetamide (PubChem CID 51171423) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-propylamino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-propylamino]acetamide
PubChem CID51171423
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-(2-methoxyphenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)CC(=O)N(C)Cc1cccs1
InChIInChI=1S/C20H27N3O3S/c1-4-11-23(15-20(25)22(2)13-16-8-7-12-27-16)14-19(24)21-17-9-5-6-10-18(17)26-3/h5-10,12H,4,11,13-15H2,1-3H3,(H,21,24)
InChIKeyHDURIRINWMDOOW-UHFFFAOYSA-N
XLogP3.07
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 24534367
N-(2-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 17423672
2-[hexyl(propyl)amino]-N-(2-methoxyphenyl)acetamide
CID 78820994
N-(2-iodophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 31480058
N-benzyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 9168900
2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-prop-2-enylacetamide
CID 27239631
2-(2-acetamidophenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 8001547
N-(5-chloro-2-methoxyphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718180
2-(2-methoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78762295
N-(2-methoxyphenyl)-3-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide
CID 46603751
2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 40761196
2-[bis(2-hydroxyethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 18870897

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-propylamino]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-propylamino]acetamide (CID 51171423) is N-(2-methoxyphenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-propylamino]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-propylamino]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-propylamino]acetamide is CCCN(CC(=O)Nc1ccccc1OC)CC(=O)N(C)Cc1cccs1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-propylamino]acetamide?
The InChIKey is HDURIRINWMDOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-4-11-23(15-20(25)22(2)13-16-8-7-12-27-16)14-19(24)21-17-9-5-6-10-18(17)26-3/h5-10,12H,4,11,13-15H2,1-3H3,(H,21,24).
What are the key properties of N-(2-methoxyphenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-propylamino]acetamide?
N-(2-methoxyphenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-propylamino]acetamide has a molecular weight of 389.52 g/mol, XLogP of 3.07, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-propylamino]acetamide is sourced from PubChem (CID 51171423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).