N-(4-methyl-3-nitrophenyl)thiophene-2-carboxamide

C12H10N2O3S — CID 839302

IUPACN-(4-methyl-3-nitrophenyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccs2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H10N2O3S/c1-8-4-5-9(7-10(8)14(16)17)13-12(15)11-3-2-6-18-11/h2-7H,1H3,(H,13,15)
InChIKeyZENMBBZZFJCAJC-UHFFFAOYSA-N
MW262.29 g/mol
LogP3.22
Rot. Bonds3

About N-(4-methyl-3-nitrophenyl)thiophene-2-carboxamide

N-(4-methyl-3-nitrophenyl)thiophene-2-carboxamide (PubChem CID 839302) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is N-(4-methyl-3-nitrophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-3-nitrophenyl)thiophene-2-carboxamide
PubChem CID839302
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC NameN-(4-methyl-3-nitrophenyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccs2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H10N2O3S/c1-8-4-5-9(7-10(8)14(16)17)13-12(15)11-3-2-6-18-11/h2-7H,1H3,(H,13,15)
InChIKeyZENMBBZZFJCAJC-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 N-(4-methyl-3-nitrophenyl)thiophene-2-carboxamide?
The IUPAC name of N-(4-methyl-3-nitrophenyl)thiophene-2-carboxamide (CID 839302) is N-(4-methyl-3-nitrophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-methyl-3-nitrophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-methyl-3-nitrophenyl)thiophene-2-carboxamide is Cc1ccc(NC(=O)c2cccs2)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-methyl-3-nitrophenyl)thiophene-2-carboxamide?
The InChIKey is ZENMBBZZFJCAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c1-8-4-5-9(7-10(8)14(16)17)13-12(15)11-3-2-6-18-11/h2-7H,1H3,(H,13,15).
What are the key properties of N-(4-methyl-3-nitrophenyl)thiophene-2-carboxamide?
N-(4-methyl-3-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 N-(4-methyl-3-nitrophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 839302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).