2,5-dimethyl-N-(3-nitrophenyl)thiophene-3-carboxamide

C13H12N2O3S — CID 16960210

IUPAC2,5-dimethyl-N-(3-nitrophenyl)thiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)s1
InChIInChI=1S/C13H12N2O3S/c1-8-6-12(9(2)19-8)13(16)14-10-4-3-5-11(7-10)15(17)18/h3-7H,1-2H3,(H,14,16)
InChIKeyNRACYZGVIPNKAI-UHFFFAOYSA-N
MW276.32 g/mol
LogP3.53
Rot. Bonds3

About 2,5-dimethyl-N-(3-nitrophenyl)thiophene-3-carboxamide

2,5-dimethyl-N-(3-nitrophenyl)thiophene-3-carboxamide (PubChem CID 16960210) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2,5-dimethyl-N-(3-nitrophenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(3-nitrophenyl)thiophene-3-carboxamide
PubChem CID16960210
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name2,5-dimethyl-N-(3-nitrophenyl)thiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)s1
InChIInChI=1S/C13H12N2O3S/c1-8-6-12(9(2)19-8)13(16)14-10-4-3-5-11(7-10)15(17)18/h3-7H,1-2H3,(H,14,16)
InChIKeyNRACYZGVIPNKAI-UHFFFAOYSA-N
XLogP3.53
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 53.53
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

2-[(3-nitrophenyl)carbamoyl]benzoate
CID 6935895
2-fluoro-N-(3-nitrophenyl)benzamide
CID 531938
2-iodo-5-nitro-N-(3-nitrophenyl)benzamide
CID 38925983
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
4-amino-6-methyl-N-(3-nitrophenyl)pyridine-3-carboxamide
CID 81235880
[2-[(3-nitrophenyl)carbamoyl]phenyl] acetate
CID 3365473
5-(ethylsulfamoyl)-2-methyl-N-(3-nitrophenyl)benzamide
CID 26561827
2-chloro-4,5-difluoro-N-(3-nitrophenyl)benzamide
CID 797365
2-amino-3-fluoro-N-(3-nitrophenyl)benzamide
CID 62650434
2-(2-cyanophenyl)-N-(3-nitrophenyl)benzamide
CID 32989896
5-chloro-2-(methylamino)-N-(3-nitrophenyl)benzamide
CID 62166987
5-hydroxy-1-N,3-N-bis(3-nitrophenyl)benzene-1,3-dicarboxamide
CID 15745029

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(3-nitrophenyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(3-nitrophenyl)thiophene-3-carboxamide (CID 16960210) is 2,5-dimethyl-N-(3-nitrophenyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(3-nitrophenyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(3-nitrophenyl)thiophene-3-carboxamide is Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-(3-nitrophenyl)thiophene-3-carboxamide?
The InChIKey is NRACYZGVIPNKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-8-6-12(9(2)19-8)13(16)14-10-4-3-5-11(7-10)15(17)18/h3-7H,1-2H3,(H,14,16).
What are the key properties of 2,5-dimethyl-N-(3-nitrophenyl)thiophene-3-carboxamide?
2,5-dimethyl-N-(3-nitrophenyl)thiophene-3-carboxamide has a molecular weight of 276.32 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(3-nitrophenyl)thiophene-3-carboxamide is sourced from PubChem (CID 16960210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).