N-cyclopentyl-2-[2-phenylethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide

C25H28N2O2S2 — CID 3202479

IUPACN-cyclopentyl-2-[2-phenylethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide
SMILESO=C(NC1CCCC1)C(c1ccsc1)N(CCc1ccccc1)C(=O)Cc1cccs1
InChIInChI=1S/C25H28N2O2S2/c28-23(17-22-11-6-15-31-22)27(14-12-19-7-2-1-3-8-19)24(20-13-16-30-18-20)25(29)26-21-9-4-5-10-21/h1-3,6-8,11,13,15-16,18,21,24H,4-5,9-10,12,14,17H2,(H,26,29)
InChIKeyHZQILAFPVNWGBF-UHFFFAOYSA-N
MW452.65 g/mol
LogP5.22
Rot. Bonds9

About N-cyclopentyl-2-[2-phenylethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide

N-cyclopentyl-2-[2-phenylethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide (PubChem CID 3202479) has the molecular formula C25H28N2O2S2 and a molecular weight of 452.65 g/mol. Its IUPAC name is N-cyclopentyl-2-[2-phenylethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[2-phenylethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide
PubChem CID3202479
Molecular FormulaC25H28N2O2S2
Molecular Weight452.65 g/mol
Exact Mass452.16
IUPAC NameN-cyclopentyl-2-[2-phenylethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide
SMILESO=C(NC1CCCC1)C(c1ccsc1)N(CCc1ccccc1)C(=O)Cc1cccs1
InChIInChI=1S/C25H28N2O2S2/c28-23(17-22-11-6-15-31-22)27(14-12-19-7-2-1-3-8-19)24(20-13-16-30-18-20)25(29)26-21-9-4-5-10-21/h1-3,6-8,11,13,15-16,18,21,24H,4-5,9-10,12,14,17H2,(H,26,29)
InChIKeyHZQILAFPVNWGBF-UHFFFAOYSA-N
XLogP5.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.65
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[2-phenylethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide?
The IUPAC name of N-cyclopentyl-2-[2-phenylethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide (CID 3202479) is N-cyclopentyl-2-[2-phenylethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[2-phenylethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-cyclopentyl-2-[2-phenylethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide is O=C(NC1CCCC1)C(c1ccsc1)N(CCc1ccccc1)C(=O)Cc1cccs1.
What is the InChIKey of N-cyclopentyl-2-[2-phenylethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide?
The InChIKey is HZQILAFPVNWGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2S2/c28-23(17-22-11-6-15-31-22)27(14-12-19-7-2-1-3-8-19)24(20-13-16-30-18-20)25(29)26-21-9-4-5-10-21/h1-3,6-8,11,13,15-16,18,21,24H,4-5,9-10,12,14,17H2,(H,26,29).
What are the key properties of N-cyclopentyl-2-[2-phenylethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide?
N-cyclopentyl-2-[2-phenylethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide has a molecular weight of 452.65 g/mol, XLogP of 5.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[2-phenylethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 3202479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).