2-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]benzamide

C17H18N2O3S — CID 8529413

IUPAC2-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(=O)NCCSc1ccccc1
InChIInChI=1S/C17H18N2O3S/c18-17(21)14-8-4-5-9-15(14)22-12-16(20)19-10-11-23-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,18,21)(H,19,20)
InChIKeyDSBLIIFGJQGVME-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.07
Rot. Bonds8

About 2-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]benzamide

2-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]benzamide (PubChem CID 8529413) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]benzamide.

Molecular Properties

Compound Name2-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]benzamide
PubChem CID8529413
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name2-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(=O)NCCSc1ccccc1
InChIInChI=1S/C17H18N2O3S/c18-17(21)14-8-4-5-9-15(14)22-12-16(20)19-10-11-23-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,18,21)(H,19,20)
InChIKeyDSBLIIFGJQGVME-UHFFFAOYSA-N
XLogP2.07
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]benzoate
CID 9371413
2-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethoxy]benzamide
CID 9092419
[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2,3-dimethoxybenzoate
CID 7604433
2-[2-(methylamino)-2-oxoethoxy]benzamide
CID 2578374
2-ethoxy-N-(2-phenylsulfanylethyl)acetamide
CID 60668624
2-(2-bromophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 8957063
2-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethoxy]benzamide
CID 106164586
2-(2-carbamothioylphenoxy)-N-(2-ethoxyethyl)acetamide
CID 43591453
2-[2-[[2-(2-carbamothioylphenoxy)acetyl]amino]ethoxy]acetamide
CID 106237128
[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-benzylbenzoate
CID 7604677
2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethoxy]benzamide
CID 8866061
N-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide
CID 3117798

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]benzamide?
The IUPAC name of 2-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]benzamide (CID 8529413) is 2-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]benzamide.
What is the SMILES notation for 2-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]benzamide?
The canonical SMILES for 2-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]benzamide is NC(=O)c1ccccc1OCC(=O)NCCSc1ccccc1.
What is the InChIKey of 2-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]benzamide?
The InChIKey is DSBLIIFGJQGVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c18-17(21)14-8-4-5-9-15(14)22-12-16(20)19-10-11-23-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,18,21)(H,19,20).
What are the key properties of 2-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]benzamide?
2-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]benzamide has a molecular weight of 330.41 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]benzamide is sourced from PubChem (CID 8529413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).