N-(3-nitrophenyl)-4-thiophen-2-yloxane-4-carboxamide

C16H16N2O4S — CID 7243583

IUPACN-(3-nitrophenyl)-4-thiophen-2-yloxane-4-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)C1(c2cccs2)CCOCC1
InChIInChI=1S/C16H16N2O4S/c19-15(17-12-3-1-4-13(11-12)18(20)21)16(6-8-22-9-7-16)14-5-2-10-23-14/h1-5,10-11H,6-9H2,(H,17,19)
InChIKeyOSJIJQJIGDZKDS-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.34
Rot. Bonds4

About N-(3-nitrophenyl)-4-thiophen-2-yloxane-4-carboxamide

N-(3-nitrophenyl)-4-thiophen-2-yloxane-4-carboxamide (PubChem CID 7243583) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is N-(3-nitrophenyl)-4-thiophen-2-yloxane-4-carboxamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-4-thiophen-2-yloxane-4-carboxamide
PubChem CID7243583
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC NameN-(3-nitrophenyl)-4-thiophen-2-yloxane-4-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)C1(c2cccs2)CCOCC1
InChIInChI=1S/C16H16N2O4S/c19-15(17-12-3-1-4-13(11-12)18(20)21)16(6-8-22-9-7-16)14-5-2-10-23-14/h1-5,10-11H,6-9H2,(H,17,19)
InChIKeyOSJIJQJIGDZKDS-UHFFFAOYSA-N
XLogP3.34
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 60567198
N-(3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide
CID 16558552
1-[(3-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095390
N-(3-nitrophenyl)-1-phenylcyclopentane-1-carboxamide
CID 1108208
N-(3-chlorophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 42435317
N-(3-nitrophenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 3120388
N-(6-methyl-2-pyridinyl)-4-thiophen-2-yloxane-4-carboxamide
CID 12005993
2-morpholin-4-ium-4-yl-N-(3-nitrophenyl)acetamide
CID 3575843
N-[(3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide
CID 739011
[4-(3-nitroanilino)oxan-4-yl]methanol
CID 114170363
1-cyano-N-(3-nitrophenyl)cyclopentane-1-carboxamide
CID 55021433
1-(aminomethyl)-N-(3-nitrophenyl)cyclopentane-1-carboxamide
CID 81485238

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-4-thiophen-2-yloxane-4-carboxamide?
The IUPAC name of N-(3-nitrophenyl)-4-thiophen-2-yloxane-4-carboxamide (CID 7243583) is N-(3-nitrophenyl)-4-thiophen-2-yloxane-4-carboxamide.
What is the SMILES notation for N-(3-nitrophenyl)-4-thiophen-2-yloxane-4-carboxamide?
The canonical SMILES for N-(3-nitrophenyl)-4-thiophen-2-yloxane-4-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)C1(c2cccs2)CCOCC1.
What is the InChIKey of N-(3-nitrophenyl)-4-thiophen-2-yloxane-4-carboxamide?
The InChIKey is OSJIJQJIGDZKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c19-15(17-12-3-1-4-13(11-12)18(20)21)16(6-8-22-9-7-16)14-5-2-10-23-14/h1-5,10-11H,6-9H2,(H,17,19).
What are the key properties of N-(3-nitrophenyl)-4-thiophen-2-yloxane-4-carboxamide?
N-(3-nitrophenyl)-4-thiophen-2-yloxane-4-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-4-thiophen-2-yloxane-4-carboxamide is sourced from PubChem (CID 7243583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).