N-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N'-[(2S)-butan-2-yl]oxamide

C20H24N2O4S — CID 9185186

IUPACN-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N'-[(2S)-butan-2-yl]oxamide
SMILESCC[C@H](C)NC(=O)C(=O)NC[C@H](c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H24N2O4S/c1-3-15(2)22-20(24)19(23)21-14-18(16-10-6-4-7-11-16)27(25,26)17-12-8-5-9-13-17/h4-13,15,18H,3,14H2,1-2H3,(H,21,23)(H,22,24)/t15-,18+/m0/s1
InChIKeyLFMSNPHPRCLOJT-MAUKXSAKSA-N
MW388.49 g/mol
LogP2.23
Rot. Bonds7

About N-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N'-[(2S)-butan-2-yl]oxamide

N-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N'-[(2S)-butan-2-yl]oxamide (PubChem CID 9185186) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N'-[(2S)-butan-2-yl]oxamide.

Molecular Properties

Compound NameN-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N'-[(2S)-butan-2-yl]oxamide
PubChem CID9185186
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N'-[(2S)-butan-2-yl]oxamide
SMILESCC[C@H](C)NC(=O)C(=O)NC[C@H](c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H24N2O4S/c1-3-15(2)22-20(24)19(23)21-14-18(16-10-6-4-7-11-16)27(25,26)17-12-8-5-9-13-17/h4-13,15,18H,3,14H2,1-2H3,(H,21,23)(H,22,24)/t15-,18+/m0/s1
InChIKeyLFMSNPHPRCLOJT-MAUKXSAKSA-N
XLogP2.23
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-[(2S)-butan-2-yl]oxamide
CID 9154240
N'-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N-methyloxamide
CID 9185098
N'-[(2R)-butan-2-yl]-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155188
N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]-2-methylpropanamide
CID 9184545
N'-[(2S)-butan-2-yl]-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9152784
N-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-4-methylbenzamide
CID 9184686
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9153191
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-(benzenesulfonyl)-2-phenylethyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 9185287
N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 2291148
N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-N'-cyclopropyloxamide
CID 9159516

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N'-[(2S)-butan-2-yl]oxamide?
The IUPAC name of N-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N'-[(2S)-butan-2-yl]oxamide (CID 9185186) is N-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N'-[(2S)-butan-2-yl]oxamide.
What is the SMILES notation for N-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N'-[(2S)-butan-2-yl]oxamide?
The canonical SMILES for N-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N'-[(2S)-butan-2-yl]oxamide is CC[C@H](C)NC(=O)C(=O)NC[C@H](c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N'-[(2S)-butan-2-yl]oxamide?
The InChIKey is LFMSNPHPRCLOJT-MAUKXSAKSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-3-15(2)22-20(24)19(23)21-14-18(16-10-6-4-7-11-16)27(25,26)17-12-8-5-9-13-17/h4-13,15,18H,3,14H2,1-2H3,(H,21,23)(H,22,24)/t15-,18+/m0/s1.
What are the key properties of N-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N'-[(2S)-butan-2-yl]oxamide?
N-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N'-[(2S)-butan-2-yl]oxamide has a molecular weight of 388.49 g/mol, XLogP of 2.23, 7 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'-[(2S)-butan-2-yl]oxamide is sourced from PubChem (CID 9185186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).