5-nitro-N-prop-2-enylthiophene-2-carboxamide

C8H8N2O3S — CID 4208819

IUPAC5-nitro-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C8H8N2O3S/c1-2-5-9-8(11)6-3-4-7(14-6)10(12)13/h2-4H,1,5H2,(H,9,11)
InChIKeyBKMPFHBHNPYEGV-UHFFFAOYSA-N
MW212.23 g/mol
LogP1.57
Rot. Bonds4

About 5-nitro-N-prop-2-enylthiophene-2-carboxamide

5-nitro-N-prop-2-enylthiophene-2-carboxamide (PubChem CID 4208819) has the molecular formula C8H8N2O3S and a molecular weight of 212.23 g/mol. Its IUPAC name is 5-nitro-N-prop-2-enylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-prop-2-enylthiophene-2-carboxamide
PubChem CID4208819
Molecular FormulaC8H8N2O3S
Molecular Weight212.23 g/mol
Exact Mass212.03
IUPAC Name5-nitro-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C8H8N2O3S/c1-2-5-9-8(11)6-3-4-7(14-6)10(12)13/h2-4H,1,5H2,(H,9,11)
InChIKeyBKMPFHBHNPYEGV-UHFFFAOYSA-N
XLogP1.57
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-nitro-N-prop-2-enylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-nitro-N-[(oxolan-2-yl)methyl]thiophene-2-carboxamide
CID 3564247
N',N'-dimethyl-5-nitrothiophene-2-carbohydrazide
CID 2726411
(E)-3-(5-nitrothiophen-2-yl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 6011097
(E)-3-(5-nitrothiophen-2-yl)-1-(piperidin-1-yl)prop-2-en-1-one
CID 6115727
Morpholine, 4-((5-nitro-2-thienyl)carbonyl)-
CID 207983
N-cyclopentyl-5-nitrothiophene-2-carboxamide
CID 2108334
5-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide
CID 16373551
2-Thiophenecarboxamide, N-(2-(dimethylamino)ethyl)-5-methyl-4-nitro-, monohydrochloride
CID 3077113
Cyto10E5
CID 2739980
N-cycloheptyl-5-nitrothiophene-2-carboxamide
CID 4793744
N-(2-{4-nitroanilino}ethyl)-2-thiophenecarboxamide
CID 3110715
5-Nitrothiophene-2-carboxamide
CID 314710

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-prop-2-enylthiophene-2-carboxamide?
The IUPAC name of 5-nitro-N-prop-2-enylthiophene-2-carboxamide (CID 4208819) is 5-nitro-N-prop-2-enylthiophene-2-carboxamide.
What is the SMILES notation for 5-nitro-N-prop-2-enylthiophene-2-carboxamide?
The canonical SMILES for 5-nitro-N-prop-2-enylthiophene-2-carboxamide is C=CCNC(=O)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of 5-nitro-N-prop-2-enylthiophene-2-carboxamide?
The InChIKey is BKMPFHBHNPYEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3S/c1-2-5-9-8(11)6-3-4-7(14-6)10(12)13/h2-4H,1,5H2,(H,9,11).
What are the key properties of 5-nitro-N-prop-2-enylthiophene-2-carboxamide?
5-nitro-N-prop-2-enylthiophene-2-carboxamide has a molecular weight of 212.23 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-prop-2-enylthiophene-2-carboxamide is sourced from PubChem (CID 4208819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).