N-(3-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide

C15H15N3O3S — CID 24626868

IUPACN-(3-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC1c1cccs1
InChIInChI=1S/C15H15N3O3S/c19-15(16-11-4-1-5-12(10-11)18(20)21)17-8-2-6-13(17)14-7-3-9-22-14/h1,3-5,7,9-10,13H,2,6,8H2,(H,16,19)
InChIKeyMVXCUHKQNXQAGC-UHFFFAOYSA-N
MW317.37 g/mol
LogP4.03
Rot. Bonds3

About N-(3-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide

N-(3-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide (PubChem CID 24626868) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-(3-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
PubChem CID24626868
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-(3-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC1c1cccs1
InChIInChI=1S/C15H15N3O3S/c19-15(16-11-4-1-5-12(10-11)18(20)21)17-8-2-6-13(17)14-7-3-9-22-14/h1,3-5,7,9-10,13H,2,6,8H2,(H,16,19)
InChIKeyMVXCUHKQNXQAGC-UHFFFAOYSA-N
XLogP4.03
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 54.03
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

(2R)-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 92500032
N-[3-(2-methoxypropanoylamino)phenyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 48643647
(2R)-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 95238632
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51550941
N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 20895936
(2R)-N-(3-fluoro-4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51550933
N-(3,5-dimethoxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 20895956
N-(3-nitrophenyl)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 75377424
(2R)-1-[(3-nitrophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 29286120
2-N-cyclopropyl-1-N-(3-nitrophenyl)pyrrolidine-1,2-dicarboxamide
CID 78877015
2-(3-hydroxypropyl)-N-(3-nitrophenyl)pyrrolidine-1-carboxamide
CID 62468286
(2R)-N-(3-nitrophenyl)-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 97257335

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-(3-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide (CID 24626868) is N-(3-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC1c1cccs1.
What is the InChIKey of N-(3-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The InChIKey is MVXCUHKQNXQAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c19-15(16-11-4-1-5-12(10-11)18(20)21)17-8-2-6-13(17)14-7-3-9-22-14/h1,3-5,7,9-10,13H,2,6,8H2,(H,16,19).
What are the key properties of N-(3-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
N-(3-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 24626868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).