N-[(3-methylthiophen-2-yl)methyl]-5-nitrothiophene-2-carboxamide

C11H10N2O3S2 — CID 32986599

IUPACN-[(3-methylthiophen-2-yl)methyl]-5-nitrothiophene-2-carboxamide
SMILESCc1ccsc1CNC(=O)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C11H10N2O3S2/c1-7-4-5-17-9(7)6-12-11(14)8-2-3-10(18-8)13(15)16/h2-5H,6H2,1H3,(H,12,14)
InChIKeyXOVNWYARBJEJMK-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.96
Rot. Bonds4

About N-[(3-methylthiophen-2-yl)methyl]-5-nitrothiophene-2-carboxamide

N-[(3-methylthiophen-2-yl)methyl]-5-nitrothiophene-2-carboxamide (PubChem CID 32986599) has the molecular formula C11H10N2O3S2 and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-5-nitrothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-5-nitrothiophene-2-carboxamide
PubChem CID32986599
Molecular FormulaC11H10N2O3S2
Molecular Weight282.35 g/mol
Exact Mass282.01
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-5-nitrothiophene-2-carboxamide
SMILESCc1ccsc1CNC(=O)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C11H10N2O3S2/c1-7-4-5-17-9(7)6-12-11(14)8-2-3-10(18-8)13(15)16/h2-5H,6H2,1H3,(H,12,14)
InChIKeyXOVNWYARBJEJMK-UHFFFAOYSA-N
XLogP2.96
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(aminomethyl)phenyl]methyl]-5-nitrothiophene-2-carboxamide
CID 81090025
N-hydroxy-5-nitrothiophene-2-carboxamide
CID 103601594
N-(2-chloroprop-2-enyl)-5-nitrothiophene-2-carboxamide
CID 115636478
N-[(4-cyanophenyl)methyl]-5-nitrothiophene-2-carboxamide
CID 103612213
5-nitro-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
CID 27052442
3,4-dichloro-N-[(3-methylthiophen-2-yl)methyl]-5-nitrobenzamide
CID 112725976
N-(2-bromo-3-ethylpentyl)-5-nitrothiophene-2-carboxamide
CID 106288052
2-ethyl-2-[[(5-nitrothiophene-2-carbonyl)amino]methyl]butanoic acid
CID 115429625
5-nitro-N-phenacylthiophene-2-carboxamide
CID 106737184
5-nitro-N-pent-4-ynylthiophene-2-carboxamide
CID 103709022
2-[[(5-nitrothiophene-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324206
N-[(3-methylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 32986890

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-5-nitrothiophene-2-carboxamide?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-5-nitrothiophene-2-carboxamide (CID 32986599) is N-[(3-methylthiophen-2-yl)methyl]-5-nitrothiophene-2-carboxamide.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-5-nitrothiophene-2-carboxamide?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-5-nitrothiophene-2-carboxamide is Cc1ccsc1CNC(=O)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-5-nitrothiophene-2-carboxamide?
The InChIKey is XOVNWYARBJEJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S2/c1-7-4-5-17-9(7)6-12-11(14)8-2-3-10(18-8)13(15)16/h2-5H,6H2,1H3,(H,12,14).
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-5-nitrothiophene-2-carboxamide?
N-[(3-methylthiophen-2-yl)methyl]-5-nitrothiophene-2-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-5-nitrothiophene-2-carboxamide is sourced from PubChem (CID 32986599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).