N-(2-methyl-6-propan-2-ylphenyl)-5-nitrothiophene-2-carboxamide

C15H16N2O3S — CID 26218909

IUPACN-(2-methyl-6-propan-2-ylphenyl)-5-nitrothiophene-2-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C15H16N2O3S/c1-9(2)11-6-4-5-10(3)14(11)16-15(18)12-7-8-13(21-12)17(19)20/h4-9H,1-3H3,(H,16,18)
InChIKeyARWGQUNPJDDIPY-UHFFFAOYSA-N
MW304.37 g/mol
LogP4.34
Rot. Bonds4

About N-(2-methyl-6-propan-2-ylphenyl)-5-nitrothiophene-2-carboxamide

N-(2-methyl-6-propan-2-ylphenyl)-5-nitrothiophene-2-carboxamide (PubChem CID 26218909) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-5-nitrothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-5-nitrothiophene-2-carboxamide
PubChem CID26218909
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-5-nitrothiophene-2-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C15H16N2O3S/c1-9(2)11-6-4-5-10(3)14(11)16-15(18)12-7-8-13(21-12)17(19)20/h4-9H,1-3H3,(H,16,18)
InChIKeyARWGQUNPJDDIPY-UHFFFAOYSA-N
XLogP4.34
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.34
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-methyl-N-(2-methyl-6-propan-2-ylphenyl)-3-nitrobenzamide
CID 957054
4-ethyl-5-methyl-N-(2-methyl-6-propan-2-ylphenyl)thiophene-2-carboxamide
CID 26218789
N-(2-methyl-6-propan-2-ylphenyl)-2,4-dinitrobenzamide
CID 3565991
3-chloro-N-(2-methyl-6-propan-2-ylphenyl)-4-nitrobenzamide
CID 840735
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
N-(2-methyl-6-propan-2-ylphenyl)-4-sulfanylthiophene-2-carboxamide
CID 107020649
N-(4-methyl-1H-pyrazol-5-yl)-5-nitrothiophene-2-carboxamide
CID 112691284
N-(3-methyl-1,2-oxazol-5-yl)-5-nitrothiophene-2-carboxamide
CID 45284591
N-(2-nitro-6-propan-2-ylphenyl)acetamide
CID 45074590
(2,6-dimethylphenyl) 5-nitrothiophene-2-carboxylate
CID 8765772
N-(3-iodophenyl)-5-nitrothiophene-2-carboxamide
CID 7688896
N-(2-methyl-6-propan-2-ylphenyl)-3-(2-nitroanilino)propanamide
CID 16962812

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-5-nitrothiophene-2-carboxamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-5-nitrothiophene-2-carboxamide (CID 26218909) is N-(2-methyl-6-propan-2-ylphenyl)-5-nitrothiophene-2-carboxamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-5-nitrothiophene-2-carboxamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-5-nitrothiophene-2-carboxamide is Cc1cccc(C(C)C)c1NC(=O)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-5-nitrothiophene-2-carboxamide?
The InChIKey is ARWGQUNPJDDIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-9(2)11-6-4-5-10(3)14(11)16-15(18)12-7-8-13(21-12)17(19)20/h4-9H,1-3H3,(H,16,18).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-5-nitrothiophene-2-carboxamide?
N-(2-methyl-6-propan-2-ylphenyl)-5-nitrothiophene-2-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-5-nitrothiophene-2-carboxamide is sourced from PubChem (CID 26218909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).