2-[bis(2-pyridin-4-ylethyl)amino]-2-thiophen-3-ylacetamide

C20H22N4OS — CID 142792696

IUPAC2-[bis(2-pyridin-4-ylethyl)amino]-2-thiophen-3-ylacetamide
SMILESNC(=O)C(c1ccsc1)N(CCc1ccncc1)CCc1ccncc1
InChIInChI=1S/C20H22N4OS/c21-20(25)19(18-7-14-26-15-18)24(12-5-16-1-8-22-9-2-16)13-6-17-3-10-23-11-4-17/h1-4,7-11,14-15,19H,5-6,12-13H2,(H2,21,25)
InChIKeyHHFGEHVNLUCGJJ-UHFFFAOYSA-N
MW366.49 g/mol
LogP2.85
Rot. Bonds9

About 2-[bis(2-pyridin-4-ylethyl)amino]-2-thiophen-3-ylacetamide

2-[bis(2-pyridin-4-ylethyl)amino]-2-thiophen-3-ylacetamide (PubChem CID 142792696) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-[bis(2-pyridin-4-ylethyl)amino]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound Name2-[bis(2-pyridin-4-ylethyl)amino]-2-thiophen-3-ylacetamide
PubChem CID142792696
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name2-[bis(2-pyridin-4-ylethyl)amino]-2-thiophen-3-ylacetamide
SMILESNC(=O)C(c1ccsc1)N(CCc1ccncc1)CCc1ccncc1
InChIInChI=1S/C20H22N4OS/c21-20(25)19(18-7-14-26-15-18)24(12-5-16-1-8-22-9-2-16)13-6-17-3-10-23-11-4-17/h1-4,7-11,14-15,19H,5-6,12-13H2,(H2,21,25)
InChIKeyHHFGEHVNLUCGJJ-UHFFFAOYSA-N
XLogP2.85
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-pyridin-4-ylethyl)amino]-2-thiophen-3-ylacetamide?
The IUPAC name of 2-[bis(2-pyridin-4-ylethyl)amino]-2-thiophen-3-ylacetamide (CID 142792696) is 2-[bis(2-pyridin-4-ylethyl)amino]-2-thiophen-3-ylacetamide.
What is the SMILES notation for 2-[bis(2-pyridin-4-ylethyl)amino]-2-thiophen-3-ylacetamide?
The canonical SMILES for 2-[bis(2-pyridin-4-ylethyl)amino]-2-thiophen-3-ylacetamide is NC(=O)C(c1ccsc1)N(CCc1ccncc1)CCc1ccncc1.
What is the InChIKey of 2-[bis(2-pyridin-4-ylethyl)amino]-2-thiophen-3-ylacetamide?
The InChIKey is HHFGEHVNLUCGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c21-20(25)19(18-7-14-26-15-18)24(12-5-16-1-8-22-9-2-16)13-6-17-3-10-23-11-4-17/h1-4,7-11,14-15,19H,5-6,12-13H2,(H2,21,25).
What are the key properties of 2-[bis(2-pyridin-4-ylethyl)amino]-2-thiophen-3-ylacetamide?
2-[bis(2-pyridin-4-ylethyl)amino]-2-thiophen-3-ylacetamide has a molecular weight of 366.49 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-pyridin-4-ylethyl)amino]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 142792696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).