N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide

C20H20N2O3S2 — CID 121170293

IUPACN'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)NCC(O)(c2ccsc2)c2cccs2)c1
InChIInChI=1S/C20H20N2O3S2/c1-13-8-14(2)10-16(9-13)22-19(24)18(23)21-12-20(25,15-5-7-26-11-15)17-4-3-6-27-17/h3-11,25H,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyOGNVHLQMMZWJLH-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.42
Rot. Bonds5

About N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide

N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide (PubChem CID 121170293) has the molecular formula C20H20N2O3S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
PubChem CID121170293
Molecular FormulaC20H20N2O3S2
Molecular Weight400.53 g/mol
Exact Mass400.09
IUPAC NameN'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)NCC(O)(c2ccsc2)c2cccs2)c1
InChIInChI=1S/C20H20N2O3S2/c1-13-8-14(2)10-16(9-13)22-19(24)18(23)21-12-20(25,15-5-7-26-11-15)17-4-3-6-27-17/h3-11,25H,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyOGNVHLQMMZWJLH-UHFFFAOYSA-N
XLogP3.42
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.42
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-ethyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170273
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 121170284
N'-(1,3-benzodioxol-5-yl)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]oxamide
CID 124873818
N-benzyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170286
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 124875855
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide
CID 121170316
N'-(5-chloro-2-cyanophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170328
1-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-3-propylurea
CID 121170348
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-thiophen-3-ylacetamide
CID 121170151
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 124878214
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 124760232
N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 124760233

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide?
The IUPAC name of N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide (CID 121170293) is N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide.
What is the SMILES notation for N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide?
The canonical SMILES for N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide is Cc1cc(C)cc(NC(=O)C(=O)NCC(O)(c2ccsc2)c2cccs2)c1.
What is the InChIKey of N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide?
The InChIKey is OGNVHLQMMZWJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S2/c1-13-8-14(2)10-16(9-13)22-19(24)18(23)21-12-20(25,15-5-7-26-11-15)17-4-3-6-27-17/h3-11,25H,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide?
N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide has a molecular weight of 400.53 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide is sourced from PubChem (CID 121170293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).