N-cyclopentyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide

C26H29N3O3S — CID 3202579

IUPACN-cyclopentyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide
SMILESCOc1ccc(CN(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccncc2)cc1
InChIInChI=1S/C26H29N3O3S/c1-32-22-10-8-19(9-11-22)18-29(24(30)17-23-7-4-16-33-23)25(20-12-14-27-15-13-20)26(31)28-21-5-2-3-6-21/h4,7-16,21,25H,2-3,5-6,17-18H2,1H3,(H,28,31)
InChIKeyMJDAUSZYWQQRBL-UHFFFAOYSA-N
MW463.60 g/mol
LogP4.52
Rot. Bonds9

About N-cyclopentyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide

N-cyclopentyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide (PubChem CID 3202579) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide
PubChem CID3202579
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC NameN-cyclopentyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide
SMILESCOc1ccc(CN(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccncc2)cc1
InChIInChI=1S/C26H29N3O3S/c1-32-22-10-8-19(9-11-22)18-29(24(30)17-23-7-4-16-33-23)25(20-12-14-27-15-13-20)26(31)28-21-5-2-3-6-21/h4,7-16,21,25H,2-3,5-6,17-18H2,1H3,(H,28,31)
InChIKeyMJDAUSZYWQQRBL-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-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide?
The IUPAC name of N-cyclopentyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide (CID 3202579) is N-cyclopentyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide?
The canonical SMILES for N-cyclopentyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide is COc1ccc(CN(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccncc2)cc1.
What is the InChIKey of N-cyclopentyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide?
The InChIKey is MJDAUSZYWQQRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-32-22-10-8-19(9-11-22)18-29(24(30)17-23-7-4-16-33-23)25(20-12-14-27-15-13-20)26(31)28-21-5-2-3-6-21/h4,7-16,21,25H,2-3,5-6,17-18H2,1H3,(H,28,31).
What are the key properties of N-cyclopentyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide?
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide 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-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 3202579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).