N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide

C24H25N3O3S — CID 3216679

IUPACN-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
SMILESO=C(NCC1CCCO1)C(c1cccnc1)N(C(=O)Cc1cccs1)c1ccccc1
InChIInChI=1S/C24H25N3O3S/c28-22(15-21-11-6-14-31-21)27(19-8-2-1-3-9-19)23(18-7-4-12-25-16-18)24(29)26-17-20-10-5-13-30-20/h1-4,6-9,11-12,14,16,20,23H,5,10,13,15,17H2,(H,26,29)
InChIKeyASXLGFHXTXKNCW-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.76
Rot. Bonds8

About N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide

N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide (PubChem CID 3216679) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
PubChem CID3216679
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
SMILESO=C(NCC1CCCO1)C(c1cccnc1)N(C(=O)Cc1cccs1)c1ccccc1
InChIInChI=1S/C24H25N3O3S/c28-22(15-21-11-6-14-31-21)27(19-8-2-1-3-9-19)23(18-7-4-12-25-16-18)24(29)26-17-20-10-5-13-30-20/h1-4,6-9,11-12,14,16,20,23H,5,10,13,15,17H2,(H,26,29)
InChIKeyASXLGFHXTXKNCW-UHFFFAOYSA-N
XLogP3.76
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide (CID 3216679) is N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide is O=C(NCC1CCCO1)C(c1cccnc1)N(C(=O)Cc1cccs1)c1ccccc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The InChIKey is ASXLGFHXTXKNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c28-22(15-21-11-6-14-31-21)27(19-8-2-1-3-9-19)23(18-7-4-12-25-16-18)24(29)26-17-20-10-5-13-30-20/h1-4,6-9,11-12,14,16,20,23H,5,10,13,15,17H2,(H,26,29).
What are the key properties of N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?
N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide has a molecular weight of 435.55 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide is sourced from PubChem (CID 3216679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).