N-[2-(4-methoxyphenoxy)ethyl]-5-nitrothiophene-2-carboxamide

C14H14N2O5S — CID 41442761

IUPACN-[2-(4-methoxyphenoxy)ethyl]-5-nitrothiophene-2-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])s2)cc1
InChIInChI=1S/C14H14N2O5S/c1-20-10-2-4-11(5-3-10)21-9-8-15-14(17)12-6-7-13(22-12)16(18)19/h2-7H,8-9H2,1H3,(H,15,17)
InChIKeyMYNFKXRCQQRGED-UHFFFAOYSA-N
MW322.34 g/mol
LogP2.47
Rot. Bonds7

About N-[2-(4-methoxyphenoxy)ethyl]-5-nitrothiophene-2-carboxamide

N-[2-(4-methoxyphenoxy)ethyl]-5-nitrothiophene-2-carboxamide (PubChem CID 41442761) has the molecular formula C14H14N2O5S and a molecular weight of 322.34 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-5-nitrothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-5-nitrothiophene-2-carboxamide
PubChem CID41442761
Molecular FormulaC14H14N2O5S
Molecular Weight322.34 g/mol
Exact Mass322.06
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-5-nitrothiophene-2-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])s2)cc1
InChIInChI=1S/C14H14N2O5S/c1-20-10-2-4-11(5-3-10)21-9-8-15-14(17)12-6-7-13(22-12)16(18)19/h2-7H,8-9H2,1H3,(H,15,17)
InChIKeyMYNFKXRCQQRGED-UHFFFAOYSA-N
XLogP2.47
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(2-fluorophenoxy)ethyl]-5-nitrothiophene-2-carboxamide
CID 18113604
N-(2-methoxyethoxy)-5-nitrothiophene-2-carboxamide
CID 79676242
4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-3-nitrobenzamide
CID 41442755
4-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-5-methylthiophene-2-carboxamide
CID 24551130
4-chloro-N-[2-(4-methoxyphenoxy)ethyl]-3-nitrobenzamide
CID 51232675
N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide
CID 37362690
N-hydroxy-5-nitrothiophene-2-carboxamide
CID 103601594
3-[2-(4-methoxyphenoxy)ethylcarbamoyl]pyrazine-2-carboxylate
CID 7189406
N-(2-chloroprop-2-enyl)-5-nitrothiophene-2-carboxamide
CID 115636478
3-methoxy-2-[(5-nitrothiophene-2-carbonyl)amino]propanoic acid
CID 81077361
N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 27173434
4-iodo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2222983

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-5-nitrothiophene-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-5-nitrothiophene-2-carboxamide (CID 41442761) is N-[2-(4-methoxyphenoxy)ethyl]-5-nitrothiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-5-nitrothiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-5-nitrothiophene-2-carboxamide is COc1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])s2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-5-nitrothiophene-2-carboxamide?
The InChIKey is MYNFKXRCQQRGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S/c1-20-10-2-4-11(5-3-10)21-9-8-15-14(17)12-6-7-13(22-12)16(18)19/h2-7H,8-9H2,1H3,(H,15,17).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-5-nitrothiophene-2-carboxamide?
N-[2-(4-methoxyphenoxy)ethyl]-5-nitrothiophene-2-carboxamide has a molecular weight of 322.34 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-5-nitrothiophene-2-carboxamide is sourced from PubChem (CID 41442761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).