N-benzyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide

C19H18N2O3S2 — CID 121170286

IUPACN-benzyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
SMILESO=C(NCc1ccccc1)C(=O)NCC(O)(c1ccsc1)c1cccs1
InChIInChI=1S/C19H18N2O3S2/c22-17(20-11-14-5-2-1-3-6-14)18(23)21-13-19(24,15-8-10-25-12-15)16-7-4-9-26-16/h1-10,12,24H,11,13H2,(H,20,22)(H,21,23)
InChIKeyOOGUKPVKXAKNJV-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.48
Rot. Bonds6

About N-benzyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide

N-benzyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide (PubChem CID 121170286) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-benzyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide.

Molecular Properties

Compound NameN-benzyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
PubChem CID121170286
Molecular FormulaC19H18N2O3S2
Molecular Weight386.50 g/mol
Exact Mass386.08
IUPAC NameN-benzyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
SMILESO=C(NCc1ccccc1)C(=O)NCC(O)(c1ccsc1)c1cccs1
InChIInChI=1S/C19H18N2O3S2/c22-17(20-11-14-5-2-1-3-6-14)18(23)21-13-19(24,15-8-10-25-12-15)16-7-4-9-26-16/h1-10,12,24H,11,13H2,(H,20,22)(H,21,23)
InChIKeyOOGUKPVKXAKNJV-UHFFFAOYSA-N
XLogP2.48
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.48
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-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 124875855
2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide
CID 124760669
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-thiophen-3-ylacetamide
CID 121170151
N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170293
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 121170284
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]naphthalene-1-carboxamide
CID 124760414
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide
CID 121170316
(2R)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylbutanamide
CID 124875908
1-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-3-propylurea
CID 121170348
N'-(1,3-benzodioxol-5-yl)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]oxamide
CID 124873818
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)adamantane-1-carboxamide
CID 121170078

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide?
The IUPAC name of N-benzyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide (CID 121170286) is N-benzyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide.
What is the SMILES notation for N-benzyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide?
The canonical SMILES for N-benzyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide is O=C(NCc1ccccc1)C(=O)NCC(O)(c1ccsc1)c1cccs1.
What is the InChIKey of N-benzyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide?
The InChIKey is OOGUKPVKXAKNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S2/c22-17(20-11-14-5-2-1-3-6-14)18(23)21-13-19(24,15-8-10-25-12-15)16-7-4-9-26-16/h1-10,12,24H,11,13H2,(H,20,22)(H,21,23).
What are the key properties of N-benzyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide?
N-benzyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide has a molecular weight of 386.50 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide is sourced from PubChem (CID 121170286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).