N-(2-morpholin-4-ylphenyl)-5-nitrothiophene-2-carboxamide

C15H15N3O4S — CID 2102940

IUPACN-(2-morpholin-4-ylphenyl)-5-nitrothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C15H15N3O4S/c19-15(13-5-6-14(23-13)18(20)21)16-11-3-1-2-4-12(11)17-7-9-22-10-8-17/h1-6H,7-10H2,(H,16,19)
InChIKeyVTTSBANTUKOTNM-UHFFFAOYSA-N
MW333.37 g/mol
LogP2.75
Rot. Bonds4

About N-(2-morpholin-4-ylphenyl)-5-nitrothiophene-2-carboxamide

N-(2-morpholin-4-ylphenyl)-5-nitrothiophene-2-carboxamide (PubChem CID 2102940) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-5-nitrothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-5-nitrothiophene-2-carboxamide
PubChem CID2102940
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC NameN-(2-morpholin-4-ylphenyl)-5-nitrothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C15H15N3O4S/c19-15(13-5-6-14(23-13)18(20)21)16-11-3-1-2-4-12(11)17-7-9-22-10-8-17/h1-6H,7-10H2,(H,16,19)
InChIKeyVTTSBANTUKOTNM-UHFFFAOYSA-N
XLogP2.75
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide
CID 2813415
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide
CID 4009096
4-ethyl-5-methyl-N-[2-(morpholin-4-yl)phenyl]thiophene-2-carboxamide
CID 9506651
Cambridge id 6662308
CID 2909105
N-(4-(Morpholinosulfonyl)phenyl)-5-nitrothiophene-2-carboxamide
CID 24982541
N-[2-(morpholin-4-yl)phenyl]thiophene-2-carboxamide
CID 734614
4-(morpholin-4-ylsulfonyl)-N-(3-nitrophenyl)thiophene-2-carboxamide
CID 2245780
1-(5-Nitrothiophene-2-carbonyl)-4-phenylpiperazine
CID 2479394
4,5-dibromo-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 2563684
N-[2-(4-methyl-1-piperazinyl)-5-nitrophenyl]-2-thiophenecarboxamide
CID 2966065
N-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]thiophene-2-carboxamide
CID 44526216
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 5-nitrothiophene-2-carboxylate
CID 2403219

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-5-nitrothiophene-2-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-5-nitrothiophene-2-carboxamide (CID 2102940) is N-(2-morpholin-4-ylphenyl)-5-nitrothiophene-2-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-5-nitrothiophene-2-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-5-nitrothiophene-2-carboxamide is O=C(Nc1ccccc1N1CCOCC1)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-5-nitrothiophene-2-carboxamide?
The InChIKey is VTTSBANTUKOTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S/c19-15(13-5-6-14(23-13)18(20)21)16-11-3-1-2-4-12(11)17-7-9-22-10-8-17/h1-6H,7-10H2,(H,16,19).
What are the key properties of N-(2-morpholin-4-ylphenyl)-5-nitrothiophene-2-carboxamide?
N-(2-morpholin-4-ylphenyl)-5-nitrothiophene-2-carboxamide has a molecular weight of 333.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-5-nitrothiophene-2-carboxamide is sourced from PubChem (CID 2102940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).