N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-N'-[(1S)-1-phenylethyl]oxamide

C17H20N2O3S — CID 99981562

IUPACN-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-N'-[(1S)-1-phenylethyl]oxamide
SMILESC[C@H](NC(=O)C(=O)NCC[C@H](O)c1ccsc1)c1ccccc1
InChIInChI=1S/C17H20N2O3S/c1-12(13-5-3-2-4-6-13)19-17(22)16(21)18-9-7-15(20)14-8-10-23-11-14/h2-6,8,10-12,15,20H,7,9H2,1H3,(H,18,21)(H,19,22)/t12-,15-/m0/s1
InChIKeyGXGTYQSJWGGOEF-WFASDCNBSA-N
MW332.43 g/mol
LogP2.17
Rot. Bonds6

About N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-N'-[(1S)-1-phenylethyl]oxamide

N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-N'-[(1S)-1-phenylethyl]oxamide (PubChem CID 99981562) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-N'-[(1S)-1-phenylethyl]oxamide.

Molecular Properties

Compound NameN-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-N'-[(1S)-1-phenylethyl]oxamide
PubChem CID99981562
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-N'-[(1S)-1-phenylethyl]oxamide
SMILESC[C@H](NC(=O)C(=O)NCC[C@H](O)c1ccsc1)c1ccccc1
InChIInChI=1S/C17H20N2O3S/c1-12(13-5-3-2-4-6-13)19-17(22)16(21)18-9-7-15(20)14-8-10-23-11-14/h2-6,8,10-12,15,20H,7,9H2,1H3,(H,18,21)(H,19,22)/t12-,15-/m0/s1
InChIKeyGXGTYQSJWGGOEF-WFASDCNBSA-N
XLogP2.17
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-hydroxy-3-thiophen-3-ylpropyl)-N-methyloxamide
CID 121132255
N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 97106356
N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-N'-(1-phenylethyl)oxamide
CID 121133968
N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 121132289
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide
CID 90496649
N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 40978744
N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-methylphenyl)oxamide
CID 121132268
N-(2-acetamidoethyl)-N'-(1-phenylethyl)oxamide
CID 108507932
N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 2291148
N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-phenylpropanamide
CID 121132071
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide
CID 90496631
N'-[(1S)-1-phenylethyl]-N-(2-phenylethyl)oxamide
CID 2249935

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-N'-[(1S)-1-phenylethyl]oxamide?
The IUPAC name of N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-N'-[(1S)-1-phenylethyl]oxamide (CID 99981562) is N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-N'-[(1S)-1-phenylethyl]oxamide.
What is the SMILES notation for N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-N'-[(1S)-1-phenylethyl]oxamide?
The canonical SMILES for N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-N'-[(1S)-1-phenylethyl]oxamide is C[C@H](NC(=O)C(=O)NCC[C@H](O)c1ccsc1)c1ccccc1.
What is the InChIKey of N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-N'-[(1S)-1-phenylethyl]oxamide?
The InChIKey is GXGTYQSJWGGOEF-WFASDCNBSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12(13-5-3-2-4-6-13)19-17(22)16(21)18-9-7-15(20)14-8-10-23-11-14/h2-6,8,10-12,15,20H,7,9H2,1H3,(H,18,21)(H,19,22)/t12-,15-/m0/s1.
What are the key properties of N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-N'-[(1S)-1-phenylethyl]oxamide?
N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-N'-[(1S)-1-phenylethyl]oxamide has a molecular weight of 332.43 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-N'-[(1S)-1-phenylethyl]oxamide is sourced from PubChem (CID 99981562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).