N-cyclopentyl-2-(3-methoxyphenyl)-2-[pyridin-3-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide

C26H29N3O3S — CID 3202684

IUPACN-cyclopentyl-2-(3-methoxyphenyl)-2-[pyridin-3-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide
SMILESCOc1cccc(C(C(=O)NC2CCCC2)N(Cc2cccnc2)C(=O)Cc2cccs2)c1
InChIInChI=1S/C26H29N3O3S/c1-32-22-11-4-8-20(15-22)25(26(31)28-21-9-2-3-10-21)29(18-19-7-5-13-27-17-19)24(30)16-23-12-6-14-33-23/h4-8,11-15,17,21,25H,2-3,9-10,16,18H2,1H3,(H,28,31)
InChIKeyAKRICQZEVHTNGZ-UHFFFAOYSA-N
MW463.60 g/mol
LogP4.52
Rot. Bonds9

About N-cyclopentyl-2-(3-methoxyphenyl)-2-[pyridin-3-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide

N-cyclopentyl-2-(3-methoxyphenyl)-2-[pyridin-3-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide (PubChem CID 3202684) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is N-cyclopentyl-2-(3-methoxyphenyl)-2-[pyridin-3-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3-methoxyphenyl)-2-[pyridin-3-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide
PubChem CID3202684
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC NameN-cyclopentyl-2-(3-methoxyphenyl)-2-[pyridin-3-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide
SMILESCOc1cccc(C(C(=O)NC2CCCC2)N(Cc2cccnc2)C(=O)Cc2cccs2)c1
InChIInChI=1S/C26H29N3O3S/c1-32-22-11-4-8-20(15-22)25(26(31)28-21-9-2-3-10-21)29(18-19-7-5-13-27-17-19)24(30)16-23-12-6-14-33-23/h4-8,11-15,17,21,25H,2-3,9-10,16,18H2,1H3,(H,28,31)
InChIKeyAKRICQZEVHTNGZ-UHFFFAOYSA-N
XLogP4.52
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3-methoxyphenyl)-2-[pyridin-3-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide?
The IUPAC name of N-cyclopentyl-2-(3-methoxyphenyl)-2-[pyridin-3-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide (CID 3202684) is N-cyclopentyl-2-(3-methoxyphenyl)-2-[pyridin-3-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide.
What is the SMILES notation for N-cyclopentyl-2-(3-methoxyphenyl)-2-[pyridin-3-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide?
The canonical SMILES for N-cyclopentyl-2-(3-methoxyphenyl)-2-[pyridin-3-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide is COc1cccc(C(C(=O)NC2CCCC2)N(Cc2cccnc2)C(=O)Cc2cccs2)c1.
What is the InChIKey of N-cyclopentyl-2-(3-methoxyphenyl)-2-[pyridin-3-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide?
The InChIKey is AKRICQZEVHTNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-32-22-11-4-8-20(15-22)25(26(31)28-21-9-2-3-10-21)29(18-19-7-5-13-27-17-19)24(30)16-23-12-6-14-33-23/h4-8,11-15,17,21,25H,2-3,9-10,16,18H2,1H3,(H,28,31).
What are the key properties of N-cyclopentyl-2-(3-methoxyphenyl)-2-[pyridin-3-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide?
N-cyclopentyl-2-(3-methoxyphenyl)-2-[pyridin-3-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide has a molecular weight of 463.60 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3-methoxyphenyl)-2-[pyridin-3-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide is sourced from PubChem (CID 3202684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).