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

C12H10N2O3S — CID 675560

IUPACN-(2-methyl-3-nitrophenyl)thiophene-2-carboxamide
SMILESCc1c(NC(=O)c2cccs2)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H10N2O3S/c1-8-9(4-2-5-10(8)14(16)17)13-12(15)11-6-3-7-18-11/h2-7H,1H3,(H,13,15)
InChIKeyVIVARGUBTQXSHO-UHFFFAOYSA-N
MW262.29 g/mol
LogP3.22
Rot. Bonds3

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

N-(2-methyl-3-nitrophenyl)thiophene-2-carboxamide (PubChem CID 675560) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is N-(2-methyl-3-nitrophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3-nitrophenyl)thiophene-2-carboxamide
PubChem CID675560
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC NameN-(2-methyl-3-nitrophenyl)thiophene-2-carboxamide
SMILESCc1c(NC(=O)c2cccs2)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H10N2O3S/c1-8-9(4-2-5-10(8)14(16)17)13-12(15)11-6-3-7-18-11/h2-7H,1H3,(H,13,15)
InChIKeyVIVARGUBTQXSHO-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

5-bromo-N-(2-methyl-3-nitrophenyl)thiophene-2-carboxamide
CID 1245199
N'-(2-methyl-3-nitrobenzoyl)thiophene-2-carbohydrazide
CID 4089645
N-(2-methyl-3-nitrophenyl)-3-thiophen-2-ylprop-2-enamide
CID 922905
3-bromo-N-(2-methyl-3-nitrophenyl)thiophene-2-carboxamide
CID 47233812
(2-methyl-3-nitrophenyl)urea
CID 22416531
2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide
CID 60706284
2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 100709194
2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 107810341
N-[(2-methyl-3-nitrophenyl)carbamoyl]formamide
CID 174454415
(E)-N-(2-methyl-3-nitrophenyl)but-2-enamide
CID 110459718
2,2-dimethyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 4927442
2-[(2-methyl-3-nitrophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 107811028

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-nitrophenyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-methyl-3-nitrophenyl)thiophene-2-carboxamide (CID 675560) is N-(2-methyl-3-nitrophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-methyl-3-nitrophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-methyl-3-nitrophenyl)thiophene-2-carboxamide is Cc1c(NC(=O)c2cccs2)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methyl-3-nitrophenyl)thiophene-2-carboxamide?
The InChIKey is VIVARGUBTQXSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c1-8-9(4-2-5-10(8)14(16)17)13-12(15)11-6-3-7-18-11/h2-7H,1H3,(H,13,15).
What are the key properties of N-(2-methyl-3-nitrophenyl)thiophene-2-carboxamide?
N-(2-methyl-3-nitrophenyl)thiophene-2-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 N-(2-methyl-3-nitrophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 675560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).