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

C12H10N2O3S — CID 2970306

IUPAC5-methyl-N-(2-nitrophenyl)thiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2[N+](=O)[O-])cs1
InChIInChI=1S/C12H10N2O3S/c1-8-6-9(7-18-8)12(15)13-10-4-2-3-5-11(10)14(16)17/h2-7H,1H3,(H,13,15)
InChIKeyMVXFVKDLDTUZND-UHFFFAOYSA-N
MW262.29 g/mol
LogP3.22
Rot. Bonds3

About 5-methyl-N-(2-nitrophenyl)thiophene-3-carboxamide

5-methyl-N-(2-nitrophenyl)thiophene-3-carboxamide (PubChem CID 2970306) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 5-methyl-N-(2-nitrophenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-nitrophenyl)thiophene-3-carboxamide
PubChem CID2970306
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name5-methyl-N-(2-nitrophenyl)thiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2[N+](=O)[O-])cs1
InChIInChI=1S/C12H10N2O3S/c1-8-6-9(7-18-8)12(15)13-10-4-2-3-5-11(10)14(16)17/h2-7H,1H3,(H,13,15)
InChIKeyMVXFVKDLDTUZND-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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Related Compounds

N-(4-methylphenyl)thiophene-2-carboxamide
CID 2292972
N-(4-nitrophenyl)-2-(thiophen-2-yl)acetamide
CID 2970898
N-(2-Ethylphenyl)-2-thiophenecarboxamide
CID 765411
N-phenyl-3-thiophenecarboxamide
CID 902479
N-(4-methyl-3-nitrophenyl)-2-thienylcarboxamide
CID 839302
N-(3-nitrophenyl)-5-propylthiophene-3-carboxamide
CID 1245285
4,5-dimethyl-N-(2-methyl-4-nitrophenyl)thiophene-3-carboxamide
CID 2971457
N-(2-Fluoro-5-nitrophenyl)-2-thiophenecarboxamide
CID 573756
N-(2-fluoro-5-nitrophenyl)-5-methylthiophene-2-carboxamide
CID 831931
Thiophene-2-carboxylic acid [2-(3-nitro-phenyl)-1-p-tolylcarbamoyl-vinyl]-amide
CID 5442636
N-(2-methyl-4-nitrophenyl)-3-(2-thienyl)acrylamide
CID 5736817
N-(4-nitrophenyl)-3-(2-thienyl)acrylamide
CID 5736923

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-nitrophenyl)thiophene-3-carboxamide?
The IUPAC name of 5-methyl-N-(2-nitrophenyl)thiophene-3-carboxamide (CID 2970306) is 5-methyl-N-(2-nitrophenyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-nitrophenyl)thiophene-3-carboxamide?
The canonical SMILES for 5-methyl-N-(2-nitrophenyl)thiophene-3-carboxamide is Cc1cc(C(=O)Nc2ccccc2[N+](=O)[O-])cs1.
What is the InChIKey of 5-methyl-N-(2-nitrophenyl)thiophene-3-carboxamide?
The InChIKey is MVXFVKDLDTUZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c1-8-6-9(7-18-8)12(15)13-10-4-2-3-5-11(10)14(16)17/h2-7H,1H3,(H,13,15).
What are the key properties of 5-methyl-N-(2-nitrophenyl)thiophene-3-carboxamide?
5-methyl-N-(2-nitrophenyl)thiophene-3-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-(2-nitrophenyl)thiophene-3-carboxamide is sourced from PubChem (CID 2970306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).