N'-(2,3-dihydro-1H-inden-5-yl)-N-(2-phenylsulfanylethyl)oxamide

C19H20N2O2S — CID 86996263

IUPACN'-(2,3-dihydro-1H-inden-5-yl)-N-(2-phenylsulfanylethyl)oxamide
SMILESO=C(NCCSc1ccccc1)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C19H20N2O2S/c22-18(20-11-12-24-17-7-2-1-3-8-17)19(23)21-16-10-9-14-5-4-6-15(14)13-16/h1-3,7-10,13H,4-6,11-12H2,(H,20,22)(H,21,23)
InChIKeyWPYPVZNYCLTHSD-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.02
Rot. Bonds5

About N'-(2,3-dihydro-1H-inden-5-yl)-N-(2-phenylsulfanylethyl)oxamide

N'-(2,3-dihydro-1H-inden-5-yl)-N-(2-phenylsulfanylethyl)oxamide (PubChem CID 86996263) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N'-(2,3-dihydro-1H-inden-5-yl)-N-(2-phenylsulfanylethyl)oxamide.

Molecular Properties

Compound NameN'-(2,3-dihydro-1H-inden-5-yl)-N-(2-phenylsulfanylethyl)oxamide
PubChem CID86996263
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN'-(2,3-dihydro-1H-inden-5-yl)-N-(2-phenylsulfanylethyl)oxamide
SMILESO=C(NCCSc1ccccc1)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C19H20N2O2S/c22-18(20-11-12-24-17-7-2-1-3-8-17)19(23)21-16-10-9-14-5-4-6-15(14)13-16/h1-3,7-10,13H,4-6,11-12H2,(H,20,22)(H,21,23)
InChIKeyWPYPVZNYCLTHSD-UHFFFAOYSA-N
XLogP3.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(2,3-dihydro-1H-inden-5-yl)-N-(2-phenylsulfanylethyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9482902
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111033085
N-(2,3-dihydro-1H-inden-5-yl)-3,3-bis(phenylsulfanyl)propanamide
CID 123563159
N-(2,3-dihydro-1H-inden-5-yl)-2-hydrazinyl-2-oxoacetamide
CID 43163947
N'-(2,3-dihydro-1H-inden-5-yl)-N-[(1-hydroxycyclohexyl)methyl]oxamide
CID 111435652
N-(2,3-dihydro-1H-inden-5-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 18135257
N-(2,3-dihydro-1H-inden-5-yl)-2-sulfanylacetamide
CID 60650065
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 61031459
(2S)-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-phenylacetamide
CID 40569777
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-phenylsulfanylethyl)thiourea
CID 92541830
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-phenylacetamide
CID 26644664
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-phenylsulfanylpropanamide
CID 133191909

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1H-inden-5-yl)-N-(2-phenylsulfanylethyl)oxamide?
The IUPAC name of N'-(2,3-dihydro-1H-inden-5-yl)-N-(2-phenylsulfanylethyl)oxamide (CID 86996263) is N'-(2,3-dihydro-1H-inden-5-yl)-N-(2-phenylsulfanylethyl)oxamide.
What is the SMILES notation for N'-(2,3-dihydro-1H-inden-5-yl)-N-(2-phenylsulfanylethyl)oxamide?
The canonical SMILES for N'-(2,3-dihydro-1H-inden-5-yl)-N-(2-phenylsulfanylethyl)oxamide is O=C(NCCSc1ccccc1)C(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N'-(2,3-dihydro-1H-inden-5-yl)-N-(2-phenylsulfanylethyl)oxamide?
The InChIKey is WPYPVZNYCLTHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c22-18(20-11-12-24-17-7-2-1-3-8-17)19(23)21-16-10-9-14-5-4-6-15(14)13-16/h1-3,7-10,13H,4-6,11-12H2,(H,20,22)(H,21,23).
What are the key properties of N'-(2,3-dihydro-1H-inden-5-yl)-N-(2-phenylsulfanylethyl)oxamide?
N'-(2,3-dihydro-1H-inden-5-yl)-N-(2-phenylsulfanylethyl)oxamide has a molecular weight of 340.45 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1H-inden-5-yl)-N-(2-phenylsulfanylethyl)oxamide is sourced from PubChem (CID 86996263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).