N-(2-acetyl-5-phenylthiophen-3-yl)-N-benzyl-2-cyclopentylacetamide

C26H27NO2S — CID 70974316

IUPACN-(2-acetyl-5-phenylthiophen-3-yl)-N-benzyl-2-cyclopentylacetamide
SMILESCC(=O)c1sc(-c2ccccc2)cc1N(Cc1ccccc1)C(=O)CC1CCCC1
InChIInChI=1S/C26H27NO2S/c1-19(28)26-23(17-24(30-26)22-14-6-3-7-15-22)27(18-21-12-4-2-5-13-21)25(29)16-20-10-8-9-11-20/h2-7,12-15,17,20H,8-11,16,18H2,1H3
InChIKeyGSYGJRHPAWXFSP-UHFFFAOYSA-N
MW417.57 g/mol
LogP6.73
Rot. Bonds7

About N-(2-acetyl-5-phenylthiophen-3-yl)-N-benzyl-2-cyclopentylacetamide

N-(2-acetyl-5-phenylthiophen-3-yl)-N-benzyl-2-cyclopentylacetamide (PubChem CID 70974316) has the molecular formula C26H27NO2S and a molecular weight of 417.57 g/mol. Its IUPAC name is N-(2-acetyl-5-phenylthiophen-3-yl)-N-benzyl-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-(2-acetyl-5-phenylthiophen-3-yl)-N-benzyl-2-cyclopentylacetamide
PubChem CID70974316
Molecular FormulaC26H27NO2S
Molecular Weight417.57 g/mol
Exact Mass417.18
IUPAC NameN-(2-acetyl-5-phenylthiophen-3-yl)-N-benzyl-2-cyclopentylacetamide
SMILESCC(=O)c1sc(-c2ccccc2)cc1N(Cc1ccccc1)C(=O)CC1CCCC1
InChIInChI=1S/C26H27NO2S/c1-19(28)26-23(17-24(30-26)22-14-6-3-7-15-22)27(18-21-12-4-2-5-13-21)25(29)16-20-10-8-9-11-20/h2-7,12-15,17,20H,8-11,16,18H2,1H3
InChIKeyGSYGJRHPAWXFSP-UHFFFAOYSA-N
XLogP6.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.57
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-[(3-methylphenyl)methyl]-N-phenylacetamide
CID 91043678
N,N-dibenzyl-2-cyclopentylacetamide
CID 112760283
[3-[3-cyclopentylpropanoyl(ethyl)amino]-5-phenylthiophen-2-yl] hydrogen carbonate
CID 68799450
N-[(4-chlorophenyl)methyl]-2-cyclopentyl-N-phenylacetamide
CID 91802129
[3-[(3-chlorophenyl)methyl-(cyclopropanecarbonyl)amino]-5-phenylthiophen-2-yl] hydrogen carbonate
CID 68799598
N-benzyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide
CID 110754688
N-[(3-chlorophenyl)methyl]-N-(2-methyl-5-phenylthiophen-3-yl)acetamide;formic acid
CID 142192441
N-benzyl-2-cyclopentyl-N-(2-methoxyethyl)acetamide
CID 86975819
3-[(4-methylcyclohexanecarbonyl)-[(1-methylpiperidin-3-yl)methyl]amino]-5-phenylthiophene-2-carboxylic acid;hydrochloride
CID 10480756
1-(3-amino-5-phenylthiophen-2-yl)ethanone
CID 2807849
N-benzyl-N-(2-cyanoethyl)-2-cyclopentylacetamide
CID 54786502
5-phenyl-3-[propanoyl(thian-4-yl)amino]thiophene-2-carboxylic acid
CID 71057513

Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-5-phenylthiophen-3-yl)-N-benzyl-2-cyclopentylacetamide?
The IUPAC name of N-(2-acetyl-5-phenylthiophen-3-yl)-N-benzyl-2-cyclopentylacetamide (CID 70974316) is N-(2-acetyl-5-phenylthiophen-3-yl)-N-benzyl-2-cyclopentylacetamide.
What is the SMILES notation for N-(2-acetyl-5-phenylthiophen-3-yl)-N-benzyl-2-cyclopentylacetamide?
The canonical SMILES for N-(2-acetyl-5-phenylthiophen-3-yl)-N-benzyl-2-cyclopentylacetamide is CC(=O)c1sc(-c2ccccc2)cc1N(Cc1ccccc1)C(=O)CC1CCCC1.
What is the InChIKey of N-(2-acetyl-5-phenylthiophen-3-yl)-N-benzyl-2-cyclopentylacetamide?
The InChIKey is GSYGJRHPAWXFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO2S/c1-19(28)26-23(17-24(30-26)22-14-6-3-7-15-22)27(18-21-12-4-2-5-13-21)25(29)16-20-10-8-9-11-20/h2-7,12-15,17,20H,8-11,16,18H2,1H3.
What are the key properties of N-(2-acetyl-5-phenylthiophen-3-yl)-N-benzyl-2-cyclopentylacetamide?
N-(2-acetyl-5-phenylthiophen-3-yl)-N-benzyl-2-cyclopentylacetamide has a molecular weight of 417.57 g/mol, XLogP of 6.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-5-phenylthiophen-3-yl)-N-benzyl-2-cyclopentylacetamide is sourced from PubChem (CID 70974316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).