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

C18H15N3O5S2 — CID 121170316

IUPACN-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide
SMILESO=C(NCC(O)(c1ccsc1)c1cccs1)C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H15N3O5S2/c22-16(17(23)20-13-4-1-2-5-14(13)21(25)26)19-11-18(24,12-7-9-27-10-12)15-6-3-8-28-15/h1-10,24H,11H2,(H,19,22)(H,20,23)
InChIKeyZHWYMANMUZYRAB-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.71
Rot. Bonds6

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

N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide (PubChem CID 121170316) has the molecular formula C18H15N3O5S2 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide
PubChem CID121170316
Molecular FormulaC18H15N3O5S2
Molecular Weight417.47 g/mol
Exact Mass417.05
IUPAC NameN-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide
SMILESO=C(NCC(O)(c1ccsc1)c1cccs1)C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H15N3O5S2/c22-16(17(23)20-13-4-1-2-5-14(13)21(25)26)19-11-18(24,12-7-9-27-10-12)15-6-3-8-28-15/h1-10,24H,11H2,(H,19,22)(H,20,23)
InChIKeyZHWYMANMUZYRAB-UHFFFAOYSA-N
XLogP2.71
TPSA121.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-methyl-3-nitrobenzamide
CID 121170079
N'-(5-chloro-2-cyanophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170328
N-benzyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170286
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-nitrobenzenesulfonamide
CID 121170212
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]-N'-[(1R)-1-phenylethyl]oxamide
CID 124875855
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-thiophen-3-ylacetamide
CID 121170151
1-(2-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]urea
CID 124878238
1-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-3-propylurea
CID 121170348
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]naphthalene-1-carboxamide
CID 124760414
2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide
CID 124760669

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide (CID 121170316) is N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide is O=C(NCC(O)(c1ccsc1)c1cccs1)C(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide?
The InChIKey is ZHWYMANMUZYRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O5S2/c22-16(17(23)20-13-4-1-2-5-14(13)21(25)26)19-11-18(24,12-7-9-27-10-12)15-6-3-8-28-15/h1-10,24H,11H2,(H,19,22)(H,20,23).
What are the key properties of N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide?
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide has a molecular weight of 417.47 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide is sourced from PubChem (CID 121170316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).