5-methyl-N-(4-nitrophenyl)thiophene-2-carboxamide

C12H10N2O3S — CID 2971205

IUPAC5-methyl-N-(4-nitrophenyl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C12H10N2O3S/c1-8-2-7-11(18-8)12(15)13-9-3-5-10(6-4-9)14(16)17/h2-7H,1H3,(H,13,15)
InChIKeyXGEBWCHNAZADCZ-UHFFFAOYSA-N
MW262.29 g/mol
LogP3.22
Rot. Bonds3

About 5-methyl-N-(4-nitrophenyl)thiophene-2-carboxamide

5-methyl-N-(4-nitrophenyl)thiophene-2-carboxamide (PubChem CID 2971205) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 5-methyl-N-(4-nitrophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-nitrophenyl)thiophene-2-carboxamide
PubChem CID2971205
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name5-methyl-N-(4-nitrophenyl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C12H10N2O3S/c1-8-2-7-11(18-8)12(15)13-9-3-5-10(6-4-9)14(16)17/h2-7H,1H3,(H,13,15)
InChIKeyXGEBWCHNAZADCZ-UHFFFAOYSA-N
XLogP3.22
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-methyl-N-(4-nitrophenyl)thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-(4-nitrophenyl)thiophene-2-carboxamide (CID 2971205) is 5-methyl-N-(4-nitrophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-nitrophenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-(4-nitrophenyl)thiophene-2-carboxamide is Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)s1.
What is the InChIKey of 5-methyl-N-(4-nitrophenyl)thiophene-2-carboxamide?
The InChIKey is XGEBWCHNAZADCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c1-8-2-7-11(18-8)12(15)13-9-3-5-10(6-4-9)14(16)17/h2-7H,1H3,(H,13,15).
What are the key properties of 5-methyl-N-(4-nitrophenyl)thiophene-2-carboxamide?
5-methyl-N-(4-nitrophenyl)thiophene-2-carboxamide has a molecular weight of 262.29 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-nitrophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 2971205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).