4-methoxy-N,N-dimethyl-5-nitrothiophene-3-carboxamide

C8H10N2O4S — CID 58736638

IUPAC4-methoxy-N,N-dimethyl-5-nitrothiophene-3-carboxamide
SMILESCOc1c(C(=O)N(C)C)csc1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O4S/c1-9(2)7(11)5-4-15-8(10(12)13)6(5)14-3/h4H,1-3H3
InChIKeyFUZCNJJFKLSALM-UHFFFAOYSA-N
MW230.24 g/mol
LogP1.37
Rot. Bonds3

About 4-methoxy-N,N-dimethyl-5-nitrothiophene-3-carboxamide

4-methoxy-N,N-dimethyl-5-nitrothiophene-3-carboxamide (PubChem CID 58736638) has the molecular formula C8H10N2O4S and a molecular weight of 230.24 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethyl-5-nitrothiophene-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-N,N-dimethyl-5-nitrothiophene-3-carboxamide
PubChem CID58736638
Molecular FormulaC8H10N2O4S
Molecular Weight230.24 g/mol
Exact Mass230.04
IUPAC Name4-methoxy-N,N-dimethyl-5-nitrothiophene-3-carboxamide
SMILESCOc1c(C(=O)N(C)C)csc1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O4S/c1-9(2)7(11)5-4-15-8(10(12)13)6(5)14-3/h4H,1-3H3
InChIKeyFUZCNJJFKLSALM-UHFFFAOYSA-N
XLogP1.37
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 51.37
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethyl-5-nitrothiophene-3-carboxamide?
The IUPAC name of 4-methoxy-N,N-dimethyl-5-nitrothiophene-3-carboxamide (CID 58736638) is 4-methoxy-N,N-dimethyl-5-nitrothiophene-3-carboxamide.
What is the SMILES notation for 4-methoxy-N,N-dimethyl-5-nitrothiophene-3-carboxamide?
The canonical SMILES for 4-methoxy-N,N-dimethyl-5-nitrothiophene-3-carboxamide is COc1c(C(=O)N(C)C)csc1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-N,N-dimethyl-5-nitrothiophene-3-carboxamide?
The InChIKey is FUZCNJJFKLSALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c1-9(2)7(11)5-4-15-8(10(12)13)6(5)14-3/h4H,1-3H3.
What are the key properties of 4-methoxy-N,N-dimethyl-5-nitrothiophene-3-carboxamide?
4-methoxy-N,N-dimethyl-5-nitrothiophene-3-carboxamide has a molecular weight of 230.24 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethyl-5-nitrothiophene-3-carboxamide is sourced from PubChem (CID 58736638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).