N-cyclopentyl-2-(4-methylphenyl)-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide

C25H32N2O3S — CID 3202887

IUPACN-cyclopentyl-2-(4-methylphenyl)-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide
SMILESCc1ccc(C(C(=O)NC2CCCC2)N(CC2CCCO2)C(=O)Cc2cccs2)cc1
InChIInChI=1S/C25H32N2O3S/c1-18-10-12-19(13-11-18)24(25(29)26-20-6-2-3-7-20)27(17-21-8-4-14-30-21)23(28)16-22-9-5-15-31-22/h5,9-13,15,20-21,24H,2-4,6-8,14,16-17H2,1H3,(H,26,29)
InChIKeyFGAWJELYEWLLMX-UHFFFAOYSA-N
MW440.61 g/mol
LogP4.41
Rot. Bonds8

About N-cyclopentyl-2-(4-methylphenyl)-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide

N-cyclopentyl-2-(4-methylphenyl)-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide (PubChem CID 3202887) has the molecular formula C25H32N2O3S and a molecular weight of 440.61 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-methylphenyl)-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-methylphenyl)-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide
PubChem CID3202887
Molecular FormulaC25H32N2O3S
Molecular Weight440.61 g/mol
Exact Mass440.21
IUPAC NameN-cyclopentyl-2-(4-methylphenyl)-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide
SMILESCc1ccc(C(C(=O)NC2CCCC2)N(CC2CCCO2)C(=O)Cc2cccs2)cc1
InChIInChI=1S/C25H32N2O3S/c1-18-10-12-19(13-11-18)24(25(29)26-20-6-2-3-7-20)27(17-21-8-4-14-30-21)23(28)16-22-9-5-15-31-22/h5,9-13,15,20-21,24H,2-4,6-8,14,16-17H2,1H3,(H,26,29)
InChIKeyFGAWJELYEWLLMX-UHFFFAOYSA-N
XLogP4.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(4-methylphenyl)acetamide
CID 3202892
2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 3202897
N-cyclopentyl-2-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3202729
2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 3202898
N-cyclopentyl-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-thiophen-2-ylacetamide
CID 3180389
(2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide
CID 1441603
2-[1,3-benzodioxol-5-yl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-(4-methylphenyl)acetamide
CID 3190974
N-cyclopentyl-2-(2,6-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 3202956
N-cyclopentyl-2-pyridin-4-yl-2-(2,4,6-trimethyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202608
(2R)-N-cyclohexyl-2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 1167840
(2S)-N-cyclohexyl-2-(4-hydroxyphenyl)-2-(3-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1168238
(2S)-N-cyclopentyl-2-thiophen-2-yl-2-(2,4,6-trimethyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1435992

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-methylphenyl)-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide?
The IUPAC name of N-cyclopentyl-2-(4-methylphenyl)-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide (CID 3202887) is N-cyclopentyl-2-(4-methylphenyl)-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide.
What is the SMILES notation for N-cyclopentyl-2-(4-methylphenyl)-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide?
The canonical SMILES for N-cyclopentyl-2-(4-methylphenyl)-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide is Cc1ccc(C(C(=O)NC2CCCC2)N(CC2CCCO2)C(=O)Cc2cccs2)cc1.
What is the InChIKey of N-cyclopentyl-2-(4-methylphenyl)-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide?
The InChIKey is FGAWJELYEWLLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3S/c1-18-10-12-19(13-11-18)24(25(29)26-20-6-2-3-7-20)27(17-21-8-4-14-30-21)23(28)16-22-9-5-15-31-22/h5,9-13,15,20-21,24H,2-4,6-8,14,16-17H2,1H3,(H,26,29).
What are the key properties of N-cyclopentyl-2-(4-methylphenyl)-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide?
N-cyclopentyl-2-(4-methylphenyl)-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide has a molecular weight of 440.61 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-methylphenyl)-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide is sourced from PubChem (CID 3202887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).