N-cyclopentyl-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide

C25H34N2O6S — CID 3202654

IUPACN-cyclopentyl-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOCCN(C(=O)Cc1cccs1)C(C(=O)NC1CCCC1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C25H34N2O6S/c1-30-12-11-27(22(28)16-19-10-7-13-34-19)23(25(29)26-18-8-5-6-9-18)17-14-20(31-2)24(33-4)21(15-17)32-3/h7,10,13-15,18,23H,5-6,8-9,11-12,16H2,1-4H3,(H,26,29)
InChIKeyNGOYRBSCNCGKMD-UHFFFAOYSA-N
MW490.62 g/mol
LogP3.59
Rot. Bonds12

About N-cyclopentyl-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide

N-cyclopentyl-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 3202654) has the molecular formula C25H34N2O6S and a molecular weight of 490.62 g/mol. Its IUPAC name is N-cyclopentyl-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID3202654
Molecular FormulaC25H34N2O6S
Molecular Weight490.62 g/mol
Exact Mass490.21
IUPAC NameN-cyclopentyl-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOCCN(C(=O)Cc1cccs1)C(C(=O)NC1CCCC1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C25H34N2O6S/c1-30-12-11-27(22(28)16-19-10-7-13-34-19)23(25(29)26-18-8-5-6-9-18)17-14-20(31-2)24(33-4)21(15-17)32-3/h7,10,13-15,18,23H,5-6,8-9,11-12,16H2,1-4H3,(H,26,29)
InChIKeyNGOYRBSCNCGKMD-UHFFFAOYSA-N
XLogP3.59
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.62
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopentyl-2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3202874
N-cyclopentyl-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide
CID 3202578
N-cyclohexyl-2-(4-methoxyphenyl)-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3184904
N-cyclopentyl-2-(4-methoxyphenyl)-2-[2-phenylethyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3202722
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 98099116
N-cyclopentyl-2-(2,5-dimethoxyphenyl)-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3202615
(2R)-2-[1,3-benzodioxol-5-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-(3,4-dimethoxyphenyl)acetamide
CID 1167803
N-cyclopentyl-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-ethylphenyl)acetamide
CID 3202875
N-cyclopentyl-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-fluorophenyl)acetamide
CID 3202751
methyl 4-[2-(cyclohexylamino)-1-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-oxoethyl]benzoate
CID 3191164
(2R)-N-cyclohexyl-2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 1167840
N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 3202943

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-cyclopentyl-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide (CID 3202654) is N-cyclopentyl-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-cyclopentyl-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide is COCCN(C(=O)Cc1cccs1)C(C(=O)NC1CCCC1)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-cyclopentyl-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is NGOYRBSCNCGKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O6S/c1-30-12-11-27(22(28)16-19-10-7-13-34-19)23(25(29)26-18-8-5-6-9-18)17-14-20(31-2)24(33-4)21(15-17)32-3/h7,10,13-15,18,23H,5-6,8-9,11-12,16H2,1-4H3,(H,26,29).
What are the key properties of N-cyclopentyl-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide?
N-cyclopentyl-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 490.62 g/mol, XLogP of 3.59, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 3202654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).