N-(2-methoxyethyl)-2-[2-(4-methylpiperidine-1-carbonyl)phenyl]sulfanylacetamide

C18H26N2O3S — CID 34742424

IUPACN-(2-methoxyethyl)-2-[2-(4-methylpiperidine-1-carbonyl)phenyl]sulfanylacetamide
SMILESCOCCNC(=O)CSc1ccccc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C18H26N2O3S/c1-14-7-10-20(11-8-14)18(22)15-5-3-4-6-16(15)24-13-17(21)19-9-12-23-2/h3-6,14H,7-13H2,1-2H3,(H,19,21)
InChIKeyONJUKDYIOVETRX-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.41
Rot. Bonds7

About N-(2-methoxyethyl)-2-[2-(4-methylpiperidine-1-carbonyl)phenyl]sulfanylacetamide

N-(2-methoxyethyl)-2-[2-(4-methylpiperidine-1-carbonyl)phenyl]sulfanylacetamide (PubChem CID 34742424) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[2-(4-methylpiperidine-1-carbonyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[2-(4-methylpiperidine-1-carbonyl)phenyl]sulfanylacetamide
PubChem CID34742424
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-(2-methoxyethyl)-2-[2-(4-methylpiperidine-1-carbonyl)phenyl]sulfanylacetamide
SMILESCOCCNC(=O)CSc1ccccc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C18H26N2O3S/c1-14-7-10-20(11-8-14)18(22)15-5-3-4-6-16(15)24-13-17(21)19-9-12-23-2/h3-6,14H,7-13H2,1-2H3,(H,19,21)
InChIKeyONJUKDYIOVETRX-UHFFFAOYSA-N
XLogP2.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]sulfanyl-N-(2-methoxyethyl)acetamide
CID 119484876
N-(2-methoxyethyl)-2-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]sulfanylacetamide
CID 119540040
[2-(cyclopropylamino)-2-oxoethyl] 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 29174702
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 7605607
2-(cyclopentanecarbonylamino)ethyl 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 71914780
N-(2-methoxyethyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54842818
2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(1-phenylethyl)benzamide
CID 55334460
2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 112778862
(1-morpholin-4-yl-1-oxopropan-2-yl) 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 55308740
N-(2-amino-2-methylpropyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide;hydrochloride
CID 119627706
2-propan-2-yloxyethyl 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 55356954
2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)benzamide
CID 119461768

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[2-(4-methylpiperidine-1-carbonyl)phenyl]sulfanylacetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[2-(4-methylpiperidine-1-carbonyl)phenyl]sulfanylacetamide (CID 34742424) is N-(2-methoxyethyl)-2-[2-(4-methylpiperidine-1-carbonyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[2-(4-methylpiperidine-1-carbonyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[2-(4-methylpiperidine-1-carbonyl)phenyl]sulfanylacetamide is COCCNC(=O)CSc1ccccc1C(=O)N1CCC(C)CC1.
What is the InChIKey of N-(2-methoxyethyl)-2-[2-(4-methylpiperidine-1-carbonyl)phenyl]sulfanylacetamide?
The InChIKey is ONJUKDYIOVETRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-14-7-10-20(11-8-14)18(22)15-5-3-4-6-16(15)24-13-17(21)19-9-12-23-2/h3-6,14H,7-13H2,1-2H3,(H,19,21).
What are the key properties of N-(2-methoxyethyl)-2-[2-(4-methylpiperidine-1-carbonyl)phenyl]sulfanylacetamide?
N-(2-methoxyethyl)-2-[2-(4-methylpiperidine-1-carbonyl)phenyl]sulfanylacetamide has a molecular weight of 350.48 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[2-(4-methylpiperidine-1-carbonyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 34742424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).