4,5-dimethyl-N-(2-methyl-4-nitrophenyl)thiophene-3-carboxamide

C14H14N2O3S — CID 2971457

IUPAC4,5-dimethyl-N-(2-methyl-4-nitrophenyl)thiophene-3-carboxamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)c1csc(C)c1C
InChIInChI=1S/C14H14N2O3S/c1-8-6-11(16(18)19)4-5-13(8)15-14(17)12-7-20-10(3)9(12)2/h4-7H,1-3H3,(H,15,17)
InChIKeyIPIXAQYBXNHXMU-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.83
Rot. Bonds3

About 4,5-dimethyl-N-(2-methyl-4-nitrophenyl)thiophene-3-carboxamide

4,5-dimethyl-N-(2-methyl-4-nitrophenyl)thiophene-3-carboxamide (PubChem CID 2971457) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 4,5-dimethyl-N-(2-methyl-4-nitrophenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-(2-methyl-4-nitrophenyl)thiophene-3-carboxamide
PubChem CID2971457
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name4,5-dimethyl-N-(2-methyl-4-nitrophenyl)thiophene-3-carboxamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)c1csc(C)c1C
InChIInChI=1S/C14H14N2O3S/c1-8-6-11(16(18)19)4-5-13(8)15-14(17)12-7-20-10(3)9(12)2/h4-7H,1-3H3,(H,15,17)
InChIKeyIPIXAQYBXNHXMU-UHFFFAOYSA-N
XLogP3.83
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.83
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-(2-Ethylphenyl)-2-thiophenecarboxamide
CID 765411
N-(4-methyl-3-nitrophenyl)-2-thienylcarboxamide
CID 839302
N-{4-[(cyclopropylcarbonyl)amino]-2-methylphenyl}thiophene-2-carboxamide
CID 977091
N-(3-nitrophenyl)-5-propylthiophene-3-carboxamide
CID 1245285
N-(2-methyl-5-nitrophenyl)-2-(2-thienyl)acetamide
CID 875727
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-methyl-2-nitrophenyl)-3-(2-thienyl)acrylamide
CID 5737026
[4-(2-Fluoro-5-methyl-4-nitrophenyl)piperazin-1-yl](thiophen-2-yl)methanone
CID 610572
N-naphthalen-1-yl-5-nitrothiophene-2-carboxamide
CID 313350
N-(2-methyl-5-nitrophenyl)thiophene-2-carboxamide
CID 765272

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(2-methyl-4-nitrophenyl)thiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N-(2-methyl-4-nitrophenyl)thiophene-3-carboxamide (CID 2971457) is 4,5-dimethyl-N-(2-methyl-4-nitrophenyl)thiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-(2-methyl-4-nitrophenyl)thiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-(2-methyl-4-nitrophenyl)thiophene-3-carboxamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)c1csc(C)c1C.
What is the InChIKey of 4,5-dimethyl-N-(2-methyl-4-nitrophenyl)thiophene-3-carboxamide?
The InChIKey is IPIXAQYBXNHXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-8-6-11(16(18)19)4-5-13(8)15-14(17)12-7-20-10(3)9(12)2/h4-7H,1-3H3,(H,15,17).
What are the key properties of 4,5-dimethyl-N-(2-methyl-4-nitrophenyl)thiophene-3-carboxamide?
4,5-dimethyl-N-(2-methyl-4-nitrophenyl)thiophene-3-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(2-methyl-4-nitrophenyl)thiophene-3-carboxamide is sourced from PubChem (CID 2971457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).