N-(1-ethylpiperidin-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide

C18H24N4OS — CID 128956684

IUPACN-(1-ethylpiperidin-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
SMILESCCN1CCC(NC(=O)CSc2nc(C)nc3ccccc23)CC1
InChIInChI=1S/C18H24N4OS/c1-3-22-10-8-14(9-11-22)21-17(23)12-24-18-15-6-4-5-7-16(15)19-13(2)20-18/h4-7,14H,3,8-12H2,1-2H3,(H,21,23)
InChIKeyKYLFEQCWRVIQAK-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.63
Rot. Bonds5

About N-(1-ethylpiperidin-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide

N-(1-ethylpiperidin-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide (PubChem CID 128956684) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
PubChem CID128956684
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC NameN-(1-ethylpiperidin-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
SMILESCCN1CCC(NC(=O)CSc2nc(C)nc3ccccc23)CC1
InChIInChI=1S/C18H24N4OS/c1-3-22-10-8-14(9-11-22)21-17(23)12-24-18-15-6-4-5-7-16(15)19-13(2)20-18/h4-7,14H,3,8-12H2,1-2H3,(H,21,23)
InChIKeyKYLFEQCWRVIQAK-UHFFFAOYSA-N
XLogP2.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide (CID 128956684) is N-(1-ethylpiperidin-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide is CCN1CCC(NC(=O)CSc2nc(C)nc3ccccc23)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is KYLFEQCWRVIQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-3-22-10-8-14(9-11-22)21-17(23)12-24-18-15-6-4-5-7-16(15)19-13(2)20-18/h4-7,14H,3,8-12H2,1-2H3,(H,21,23).
What are the key properties of N-(1-ethylpiperidin-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
N-(1-ethylpiperidin-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 344.48 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 128956684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).