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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Related Compounds

2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
CID 41326740
2-(2-methylquinazolin-4-yl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7133886
N'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide
CID 7133852
2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
CID 41355483
N-(1-ethylpiperidin-4-yl)-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 41460806
2-(2-chlorophenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
CID 36810837
N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145941
2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 7145516
N-(1-ethylpiperidin-4-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42493881
2-(2-methylquinazolin-4-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7145707
N-cyclopropyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 50781324
N-(2,6-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145799

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).