2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)benzamide

C18H27N3O3S — CID 119461768

IUPAC2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)benzamide
SMILESCOCCNC(=O)CSc1ccccc1C(=O)NCC1CCCNC1
InChIInChI=1S/C18H27N3O3S/c1-24-10-9-20-17(22)13-25-16-7-3-2-6-15(16)18(23)21-12-14-5-4-8-19-11-14/h2-3,6-7,14,19H,4-5,8-13H2,1H3,(H,20,22)(H,21,23)
InChIKeyVUFKEZWLPULKJY-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.27
Rot. Bonds9

About 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)benzamide

2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)benzamide (PubChem CID 119461768) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)benzamide
PubChem CID119461768
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)benzamide
SMILESCOCCNC(=O)CSc1ccccc1C(=O)NCC1CCCNC1
InChIInChI=1S/C18H27N3O3S/c1-24-10-9-20-17(22)13-25-16-7-3-2-6-15(16)18(23)21-12-14-5-4-8-19-11-14/h2-3,6-7,14,19H,4-5,8-13H2,1H3,(H,20,22)(H,21,23)
InChIKeyVUFKEZWLPULKJY-UHFFFAOYSA-N
XLogP1.27
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(2-piperidin-3-ylethyl)benzamide
CID 119556818
2-phenylsulfanyl-N-(piperidin-3-ylmethyl)benzamide
CID 119464048
2-(cyclopentanecarbonylamino)ethyl 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 71914780
2-methylsulfanyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564481
N-(2-aminoethyl)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzamide
CID 119384780
[2-(cyclopropylamino)-2-oxoethyl] 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 29174702
N-(2-amino-2-methylpropyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide;hydrochloride
CID 119627706
N-(2-methoxyethyl)-2-[2-(4-methylpiperidine-1-carbonyl)phenyl]sulfanylacetamide
CID 34742424
N-[2-(aminomethyl)cyclopentyl]-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide;hydrochloride
CID 119602474
N-(2-methoxyethyl)-2-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]sulfanylacetamide
CID 119540040
N-(4-iodophenyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide
CID 55342144
4-[[2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzoyl]amino]butanoic acid
CID 119170730

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)benzamide?
The IUPAC name of 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)benzamide (CID 119461768) is 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)benzamide?
The canonical SMILES for 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)benzamide is COCCNC(=O)CSc1ccccc1C(=O)NCC1CCCNC1.
What is the InChIKey of 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)benzamide?
The InChIKey is VUFKEZWLPULKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-24-10-9-20-17(22)13-25-16-7-3-2-6-15(16)18(23)21-12-14-5-4-8-19-11-14/h2-3,6-7,14,19H,4-5,8-13H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)benzamide?
2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)benzamide has a molecular weight of 365.50 g/mol, XLogP of 1.27, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)benzamide is sourced from PubChem (CID 119461768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).