N-(2-nitrophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide

C16H17N3O3S — CID 47055862

IUPACN-(2-nitrophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1c1ccsc1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H17N3O3S/c20-16(17-13-4-1-2-5-15(13)19(21)22)10-18-8-3-6-14(18)12-7-9-23-11-12/h1-2,4-5,7,9,11,14H,3,6,8,10H2,(H,17,20)
InChIKeyWCJSLKUHIRGADG-UHFFFAOYSA-N
MW331.40 g/mol
LogP3.43
Rot. Bonds5

About N-(2-nitrophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide

N-(2-nitrophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide (PubChem CID 47055862) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-(2-nitrophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-nitrophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
PubChem CID47055862
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-(2-nitrophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1c1ccsc1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H17N3O3S/c20-16(17-13-4-1-2-5-15(13)19(21)22)10-18-8-3-6-14(18)12-7-9-23-11-12/h1-2,4-5,7,9,11,14H,3,6,8,10H2,(H,17,20)
InChIKeyWCJSLKUHIRGADG-UHFFFAOYSA-N
XLogP3.43
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 53.43
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'}

Analyze N-(2-nitrophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide 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

N-(4-chloro-2-nitrophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
CID 55850231
2-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(2-nitrophenyl)acetamide
CID 75396640
2-(4-hydroxypiperidin-1-yl)-N-(2-nitrophenyl)acetamide
CID 31480734
N-(5-chloro-2-methoxyphenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
CID 55827066
N-(2-acetylphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 41456108
2-(2,5-dimethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide
CID 64980475
1-[2-(2-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2919057
2-[(2S)-2-methylpiperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 82713934
N-(2-ethylphenyl)-2-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]acetamide
CID 94178915
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
2-(4-ethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide
CID 22199010
N-(4-chloro-2-nitrophenyl)-2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]acetamide
CID 9445334

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(2-nitrophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide (CID 47055862) is N-(2-nitrophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(2-nitrophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(2-nitrophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide is O=C(CN1CCCC1c1ccsc1)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-nitrophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide?
The InChIKey is WCJSLKUHIRGADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c20-16(17-13-4-1-2-5-15(13)19(21)22)10-18-8-3-6-14(18)12-7-9-23-11-12/h1-2,4-5,7,9,11,14H,3,6,8,10H2,(H,17,20).
What are the key properties of N-(2-nitrophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide?
N-(2-nitrophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide has a molecular weight of 331.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 47055862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).