5-nitro-N-(2-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide

C15H15N3O3S — CID 46486849

IUPAC5-nitro-N-(2-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC1)c1csc([N+](=O)[O-])c1
InChIInChI=1S/C15H15N3O3S/c19-15(11-9-14(18(20)21)22-10-11)16-12-5-1-2-6-13(12)17-7-3-4-8-17/h1-2,5-6,9-10H,3-4,7-8H2,(H,16,19)
InChIKeyHWEUGLZLSBXGKV-UHFFFAOYSA-N
MW317.37 g/mol
LogP3.51
Rot. Bonds4

About 5-nitro-N-(2-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide

5-nitro-N-(2-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide (PubChem CID 46486849) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 5-nitro-N-(2-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-nitro-N-(2-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide
PubChem CID46486849
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name5-nitro-N-(2-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC1)c1csc([N+](=O)[O-])c1
InChIInChI=1S/C15H15N3O3S/c19-15(11-9-14(18(20)21)22-10-11)16-12-5-1-2-6-13(12)17-7-3-4-8-17/h1-2,5-6,9-10H,3-4,7-8H2,(H,16,19)
InChIKeyHWEUGLZLSBXGKV-UHFFFAOYSA-N
XLogP3.51
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 53.51
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

5-phenyl-N-(2-piperidin-1-ylphenyl)thiophene-3-carboxamide
CID 126661345
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
4-bromo-3,5-dihydroxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 3019649
N-(5-nitro-2-pyrrolidin-1-ylphenyl)benzamide
CID 2966063
3,5-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 16557750
3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 7492197
4-amino-N-(2-piperidin-1-ylphenyl)benzamide
CID 119828017
3-chloro-7-nitro-N-(2-piperidin-1-ylphenyl)-1-benzothiophene-2-carboxamide
CID 1302365
3-iodo-N-(2-piperidin-1-ylphenyl)benzamide
CID 4501683
3,4-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 960458
N-(2-amino-5-fluorophenyl)-5-nitrothiophene-3-carboxamide
CID 55168020
N-(2-pyrrolidin-1-ylphenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 17313981

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(2-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide?
The IUPAC name of 5-nitro-N-(2-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide (CID 46486849) is 5-nitro-N-(2-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-nitro-N-(2-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide?
The canonical SMILES for 5-nitro-N-(2-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide is O=C(Nc1ccccc1N1CCCC1)c1csc([N+](=O)[O-])c1.
What is the InChIKey of 5-nitro-N-(2-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide?
The InChIKey is HWEUGLZLSBXGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c19-15(11-9-14(18(20)21)22-10-11)16-12-5-1-2-6-13(12)17-7-3-4-8-17/h1-2,5-6,9-10H,3-4,7-8H2,(H,16,19).
What are the key properties of 5-nitro-N-(2-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide?
5-nitro-N-(2-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(2-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 46486849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).