N'-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N-methyloxamide

C17H18N2O4S — CID 9185098

IUPACN'-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N-methyloxamide
SMILESCNC(=O)C(=O)NC[C@H](c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18N2O4S/c1-18-16(20)17(21)19-12-15(13-8-4-2-5-9-13)24(22,23)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3,(H,18,20)(H,19,21)/t15-/m1/s1
InChIKeyYAGGURVFNPOBQK-OAHLLOKOSA-N
MW346.41 g/mol
LogP1.06
Rot. Bonds5

About N'-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N-methyloxamide

N'-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N-methyloxamide (PubChem CID 9185098) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N'-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N-methyloxamide.

Molecular Properties

Compound NameN'-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N-methyloxamide
PubChem CID9185098
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN'-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N-methyloxamide
SMILESCNC(=O)C(=O)NC[C@H](c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18N2O4S/c1-18-16(20)17(21)19-12-15(13-8-4-2-5-9-13)24(22,23)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3,(H,18,20)(H,19,21)/t15-/m1/s1
InChIKeyYAGGURVFNPOBQK-OAHLLOKOSA-N
XLogP1.06
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N-methyloxamide 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-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N'-[(2S)-butan-2-yl]oxamide
CID 9185186
N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]-2-methylpropanamide
CID 9184545
N-methyl-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155029
N-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-4-methylbenzamide
CID 9184686
N'-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-N-prop-2-enyloxamide
CID 9159524
N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]-3-phenylpropanamide
CID 9184966
N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]-N-methyloxamide
CID 9160093
N'-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 9185287
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-[(2S)-butan-2-yl]oxamide
CID 9154240
N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-N'-cyclopropyloxamide
CID 9159516
2-[[2-[[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium
CID 9154417
2-[[2-[[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium
CID 9154426

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N-methyloxamide?
The IUPAC name of N'-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N-methyloxamide (CID 9185098) is N'-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N-methyloxamide.
What is the SMILES notation for N'-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N-methyloxamide?
The canonical SMILES for N'-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N-methyloxamide is CNC(=O)C(=O)NC[C@H](c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N'-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N-methyloxamide?
The InChIKey is YAGGURVFNPOBQK-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-18-16(20)17(21)19-12-15(13-8-4-2-5-9-13)24(22,23)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3,(H,18,20)(H,19,21)/t15-/m1/s1.
What are the key properties of N'-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N-methyloxamide?
N'-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N-methyloxamide has a molecular weight of 346.41 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N-methyloxamide is sourced from PubChem (CID 9185098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).