N-(2-methyl-5-nitrophenyl)-2-thiophen-2-ylacetamide

C13H12N2O3S — CID 875727

IUPACN-(2-methyl-5-nitrophenyl)-2-thiophen-2-ylacetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cccs1
InChIInChI=1S/C13H12N2O3S/c1-9-4-5-10(15(17)18)7-12(9)14-13(16)8-11-3-2-6-19-11/h2-7H,8H2,1H3,(H,14,16)
InChIKeyQGQIPLTUSLHMSM-UHFFFAOYSA-N
MW276.32 g/mol
LogP3.15
Rot. Bonds4

About N-(2-methyl-5-nitrophenyl)-2-thiophen-2-ylacetamide

N-(2-methyl-5-nitrophenyl)-2-thiophen-2-ylacetamide (PubChem CID 875727) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-(2-methyl-5-nitrophenyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(2-methyl-5-nitrophenyl)-2-thiophen-2-ylacetamide
PubChem CID875727
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC NameN-(2-methyl-5-nitrophenyl)-2-thiophen-2-ylacetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cccs1
InChIInChI=1S/C13H12N2O3S/c1-9-4-5-10(15(17)18)7-12(9)14-13(16)8-11-3-2-6-19-11/h2-7H,8H2,1H3,(H,14,16)
InChIKeyQGQIPLTUSLHMSM-UHFFFAOYSA-N
XLogP3.15
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 53.15
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-nitrophenyl)-2-(thiophen-2-yl)acetamide
CID 2970898
N-(2-methylphenyl)-2-(2-thienyl)acetamide
CID 670140
N-(4-methyl-3-nitrophenyl)-2-thienylcarboxamide
CID 839302
N-(3-Acetylamino-phenyl)-2-thiophen-2-yl-acetamide
CID 1147554
N-(3-nitrophenyl)-5-propylthiophene-3-carboxamide
CID 1245285
Thiophene-2-carboxylic acid [3-(4-fluoro-benzoylamino)-4-methyl-phenyl]-amide
CID 1432986
N-(2-methyl-5-nitrophenyl)-2-(methylthio)benzamide
CID 2228893
N-(2-methyl-3-nitrophenyl)-2-(methylthio)benzamide
CID 2242312
N-[3-(methanesulfonamido)-4-methylphenyl]thiophene-3-carboxamide
CID 2811612
4,5-dimethyl-N-(2-methyl-4-nitrophenyl)thiophene-3-carboxamide
CID 2971457
N-(2-fluoro-5-nitrophenyl)-5-methylthiophene-2-carboxamide
CID 831931
N-(2-methyl-4-nitrophenyl)-3-(2-thienyl)acrylamide
CID 5736817

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-nitrophenyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(2-methyl-5-nitrophenyl)-2-thiophen-2-ylacetamide (CID 875727) is N-(2-methyl-5-nitrophenyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(2-methyl-5-nitrophenyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(2-methyl-5-nitrophenyl)-2-thiophen-2-ylacetamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cccs1.
What is the InChIKey of N-(2-methyl-5-nitrophenyl)-2-thiophen-2-ylacetamide?
The InChIKey is QGQIPLTUSLHMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-9-4-5-10(15(17)18)7-12(9)14-13(16)8-11-3-2-6-19-11/h2-7H,8H2,1H3,(H,14,16).
What are the key properties of N-(2-methyl-5-nitrophenyl)-2-thiophen-2-ylacetamide?
N-(2-methyl-5-nitrophenyl)-2-thiophen-2-ylacetamide has a molecular weight of 276.32 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-nitrophenyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 875727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).