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

C26H29N3O3S — CID 3202578

IUPACN-cyclopentyl-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide
SMILESCOc1ccccc1CN(C(=O)Cc1cccs1)C(C(=O)NC1CCCC1)c1ccncc1
InChIInChI=1S/C26H29N3O3S/c1-32-23-11-5-2-7-20(23)18-29(24(30)17-22-10-6-16-33-22)25(19-12-14-27-15-13-19)26(31)28-21-8-3-4-9-21/h2,5-7,10-16,21,25H,3-4,8-9,17-18H2,1H3,(H,28,31)
InChIKeyKYUFPEQBNDTXCZ-UHFFFAOYSA-N
MW463.60 g/mol
LogP4.52
Rot. Bonds9

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

N-cyclopentyl-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide (PubChem CID 3202578) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is N-cyclopentyl-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide
PubChem CID3202578
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC NameN-cyclopentyl-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide
SMILESCOc1ccccc1CN(C(=O)Cc1cccs1)C(C(=O)NC1CCCC1)c1ccncc1
InChIInChI=1S/C26H29N3O3S/c1-32-23-11-5-2-7-20(23)18-29(24(30)17-22-10-6-16-33-22)25(19-12-14-27-15-13-19)26(31)28-21-8-3-4-9-21/h2,5-7,10-16,21,25H,3-4,8-9,17-18H2,1H3,(H,28,31)
InChIKeyKYUFPEQBNDTXCZ-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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Related Compounds

N-cyclohexyl-2-(4-methoxyphenyl)-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3184904
methyl 4-[2-(cyclohexylamino)-1-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-oxoethyl]benzoate
CID 3191164
(2S)-2-[(2-chlorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-4-ylacetamide
CID 1437711
N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide
CID 3745052
(2S)-N-cyclohexyl-2-(2-fluorophenyl)-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 25309613
2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-4-ylacetamide
CID 3191114
N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide
CID 3191118
(2S)-N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide
CID 1437713
N-cyclopentyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
CID 3202593
(2R)-N-cyclohexyl-2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 1167840
N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3202922
N-cyclopentyl-2-pyridin-4-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202613

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide?
The IUPAC name of N-cyclopentyl-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide (CID 3202578) is N-cyclopentyl-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide?
The canonical SMILES for N-cyclopentyl-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide is COc1ccccc1CN(C(=O)Cc1cccs1)C(C(=O)NC1CCCC1)c1ccncc1.
What is the InChIKey of N-cyclopentyl-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide?
The InChIKey is KYUFPEQBNDTXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-32-23-11-5-2-7-20(23)18-29(24(30)17-22-10-6-16-33-22)25(19-12-14-27-15-13-19)26(31)28-21-8-3-4-9-21/h2,5-7,10-16,21,25H,3-4,8-9,17-18H2,1H3,(H,28,31).
What are the key properties of N-cyclopentyl-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide?
N-cyclopentyl-2-[(2-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-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 3202578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).