N'-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide

C17H17N3O3S — CID 126852187

IUPACN'-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide
SMILESCC(O)(CNC(=O)C(=O)Nc1ccccc1C#N)Cc1ccsc1
InChIInChI=1S/C17H17N3O3S/c1-17(23,8-12-6-7-24-10-12)11-19-15(21)16(22)20-14-5-3-2-4-13(14)9-18/h2-7,10,23H,8,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyMCSFHRQWDHQQCP-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.67
Rot. Bonds5

About N'-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide

N'-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide (PubChem CID 126852187) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N'-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide
PubChem CID126852187
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN'-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide
SMILESCC(O)(CNC(=O)C(=O)Nc1ccccc1C#N)Cc1ccsc1
InChIInChI=1S/C17H17N3O3S/c1-17(23,8-12-6-7-24-10-12)11-19-15(21)16(22)20-14-5-3-2-4-13(14)9-18/h2-7,10,23H,8,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyMCSFHRQWDHQQCP-UHFFFAOYSA-N
XLogP1.67
TPSA102.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-cyanophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)oxamide
CID 52992789
N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 126852191
N'-(2-cyanophenyl)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]oxamide
CID 95367441
N'-(2-cyanophenyl)-N-propyloxamide
CID 7292742
N'-tert-butyl-N-(2-cyanophenyl)oxamide
CID 44997713
N'-(5-chloro-2-cyanophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide
CID 90498404
N'-(2-cyanophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108501500
2-methyl-1-(methylamino)-3-thiophen-3-ylpropan-2-ol
CID 66038642
N'-(2-cyanophenyl)-N-pentyloxamide
CID 7541464
N'-(5-chloro-2-cyanophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170328
3-[[2-(2-cyanoanilino)-2-oxoacetyl]amino]propyl-dimethylazanium
CID 7292746
N-(2-cyanophenyl)-2-hydroxy-2-methylbutanamide
CID 155930374

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide?
The IUPAC name of N'-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide (CID 126852187) is N'-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide.
What is the SMILES notation for N'-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide?
The canonical SMILES for N'-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide is CC(O)(CNC(=O)C(=O)Nc1ccccc1C#N)Cc1ccsc1.
What is the InChIKey of N'-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide?
The InChIKey is MCSFHRQWDHQQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-17(23,8-12-6-7-24-10-12)11-19-15(21)16(22)20-14-5-3-2-4-13(14)9-18/h2-7,10,23H,8,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide?
N'-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide has a molecular weight of 343.41 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide is sourced from PubChem (CID 126852187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).