N-cyclopentyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide

C25H27N3O3S — CID 3202593

IUPACN-cyclopentyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
SMILESCOc1ccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccncc2)cc1
InChIInChI=1S/C25H27N3O3S/c1-31-21-10-8-20(9-11-21)28(23(29)17-22-7-4-16-32-22)24(18-12-14-26-15-13-18)25(30)27-19-5-2-3-6-19/h4,7-16,19,24H,2-3,5-6,17H2,1H3,(H,27,30)
InChIKeyKRESXBJALSGBKU-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.53
Rot. Bonds8

About N-cyclopentyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide

N-cyclopentyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide (PubChem CID 3202593) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
PubChem CID3202593
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC NameN-cyclopentyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
SMILESCOc1ccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccncc2)cc1
InChIInChI=1S/C25H27N3O3S/c1-31-21-10-8-20(9-11-21)28(23(29)17-22-7-4-16-32-22)24(18-12-14-26-15-13-18)25(30)27-19-5-2-3-6-19/h4,7-16,19,24H,2-3,5-6,17H2,1H3,(H,27,30)
InChIKeyKRESXBJALSGBKU-UHFFFAOYSA-N
XLogP4.53
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-N-cyclopentyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202552
2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
CID 3202734
N-cyclopentyl-2-pyridin-4-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202613
(2S)-2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-pyridin-4-ylacetamide
CID 1436017
2-(4-acetamido-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 3184889
N-cyclohexyl-2-(3-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
CID 3191107
N-cyclohexyl-2-(4-methoxyphenyl)-2-[quinolin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3184897
N-cyclohexyl-2-(4-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-3-ylacetamide
CID 3191129
N-cyclopentyl-2-(2,6-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
CID 3202609
N-cyclopentyl-2-(3-methoxyphenyl)-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202719
N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 3202943
(2R)-N-cyclohexyl-2-(4-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide
CID 1168242

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide?
The IUPAC name of N-cyclopentyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide (CID 3202593) is N-cyclopentyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide?
The canonical SMILES for N-cyclopentyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide is COc1ccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccncc2)cc1.
What is the InChIKey of N-cyclopentyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide?
The InChIKey is KRESXBJALSGBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-31-21-10-8-20(9-11-21)28(23(29)17-22-7-4-16-32-22)24(18-12-14-26-15-13-18)25(30)27-19-5-2-3-6-19/h4,7-16,19,24H,2-3,5-6,17H2,1H3,(H,27,30).
What are the key properties of N-cyclopentyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide?
N-cyclopentyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide has a molecular weight of 449.58 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 3202593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).