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

C19H29N3O3S — CID 119556818

IUPAC2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(2-piperidin-3-ylethyl)benzamide
SMILESCOCCNC(=O)CSc1ccccc1C(=O)NCCC1CCCNC1
InChIInChI=1S/C19H29N3O3S/c1-25-12-11-21-18(23)14-26-17-7-3-2-6-16(17)19(24)22-10-8-15-5-4-9-20-13-15/h2-3,6-7,15,20H,4-5,8-14H2,1H3,(H,21,23)(H,22,24)
InChIKeyTVRIEWFTRIVLHF-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.66
Rot. Bonds10

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

2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(2-piperidin-3-ylethyl)benzamide (PubChem CID 119556818) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(2-piperidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(2-piperidin-3-ylethyl)benzamide
PubChem CID119556818
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(2-piperidin-3-ylethyl)benzamide
SMILESCOCCNC(=O)CSc1ccccc1C(=O)NCCC1CCCNC1
InChIInChI=1S/C19H29N3O3S/c1-25-12-11-21-18(23)14-26-17-7-3-2-6-16(17)19(24)22-10-8-15-5-4-9-20-13-15/h2-3,6-7,15,20H,4-5,8-14H2,1H3,(H,21,23)(H,22,24)
InChIKeyTVRIEWFTRIVLHF-UHFFFAOYSA-N
XLogP1.66
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.66
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-(piperidin-3-ylmethyl)benzamide
CID 119461768
2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556141
2-(cyclopentanecarbonylamino)ethyl 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 71914780
2-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60895170
3-methoxy-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555798
[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-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide
CID 60895336
N-[2-(4-chlorophenyl)ethyl]-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide
CID 34666615
N-(2-methoxyethyl)-2-[2-(4-methylpiperidine-1-carbonyl)phenyl]sulfanylacetamide
CID 34742424
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556120
N-[2-(aminomethyl)cyclopentyl]-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide;hydrochloride
CID 119602474

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(2-piperidin-3-ylethyl)benzamide?
The IUPAC name of 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(2-piperidin-3-ylethyl)benzamide (CID 119556818) is 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(2-piperidin-3-ylethyl)benzamide.
What is the SMILES notation for 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(2-piperidin-3-ylethyl)benzamide?
The canonical SMILES for 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(2-piperidin-3-ylethyl)benzamide is COCCNC(=O)CSc1ccccc1C(=O)NCCC1CCCNC1.
What is the InChIKey of 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(2-piperidin-3-ylethyl)benzamide?
The InChIKey is TVRIEWFTRIVLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-25-12-11-21-18(23)14-26-17-7-3-2-6-16(17)19(24)22-10-8-15-5-4-9-20-13-15/h2-3,6-7,15,20H,4-5,8-14H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(2-piperidin-3-ylethyl)benzamide?
2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(2-piperidin-3-ylethyl)benzamide has a molecular weight of 379.53 g/mol, XLogP of 1.66, 10 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-(2-piperidin-3-ylethyl)benzamide is sourced from PubChem (CID 119556818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).