N-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide

C25H27N3O3S — CID 3202595

IUPACN-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
SMILESCOc1cccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccncc2)c1
InChIInChI=1S/C25H27N3O3S/c1-31-21-9-4-8-20(16-21)28(23(29)17-22-10-5-15-32-22)24(18-11-13-26-14-12-18)25(30)27-19-6-2-3-7-19/h4-5,8-16,19,24H,2-3,6-7,17H2,1H3,(H,27,30)
InChIKeyOMDPNYDTRWTNGA-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.53
Rot. Bonds8

About N-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide

N-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide (PubChem CID 3202595) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
PubChem CID3202595
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC NameN-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
SMILESCOc1cccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccncc2)c1
InChIInChI=1S/C25H27N3O3S/c1-31-21-9-4-8-20(16-21)28(23(29)17-22-10-5-15-32-22)24(18-11-13-26-14-12-18)25(30)27-19-6-2-3-7-19/h4-5,8-16,19,24H,2-3,6-7,17H2,1H3,(H,27,30)
InChIKeyOMDPNYDTRWTNGA-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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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide?
The IUPAC name of N-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide (CID 3202595) is N-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide?
The canonical SMILES for N-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide is COc1cccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccncc2)c1.
What is the InChIKey of N-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide?
The InChIKey is OMDPNYDTRWTNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-31-21-9-4-8-20(16-21)28(23(29)17-22-10-5-15-32-22)24(18-11-13-26-14-12-18)25(30)27-19-6-2-3-7-19/h4-5,8-16,19,24H,2-3,6-7,17H2,1H3,(H,27,30).
What are the key properties of N-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide?
N-cyclopentyl-2-(3-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-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 3202595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).