(2R)-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide

C16H17N3O4S — CID 92500032

IUPAC(2R)-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1c1cccs1
InChIInChI=1S/C16H17N3O4S/c1-23-14-7-6-11(19(21)22)10-12(14)17-16(20)18-8-2-4-13(18)15-5-3-9-24-15/h3,5-7,9-10,13H,2,4,8H2,1H3,(H,17,20)/t13-/m1/s1
InChIKeyCSHBCLWMJIHWFE-CYBMUJFWSA-N
MW347.40 g/mol
LogP4.03
Rot. Bonds4

About (2R)-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide

(2R)-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide (PubChem CID 92500032) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is (2R)-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
PubChem CID92500032
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Name(2R)-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1c1cccs1
InChIInChI=1S/C16H17N3O4S/c1-23-14-7-6-11(19(21)22)10-12(14)17-16(20)18-8-2-4-13(18)15-5-3-9-24-15/h3,5-7,9-10,13H,2,4,8H2,1H3,(H,17,20)/t13-/m1/s1
InChIKeyCSHBCLWMJIHWFE-CYBMUJFWSA-N
XLogP4.03
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.03
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-(3-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 24626868
(2S)-N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503207
N-(3,5-dimethoxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 20895956
(2R)-N-(2-methoxy-5-nitrophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 41397946
N-(2-methoxy-5-nitrophenyl)pyrrolidine-1-carboxamide
CID 47191407
(2R)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 52766431
(2S)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 94171528
N-(2-methoxy-5-nitrophenyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 55363435
2-(2-methoxyanilino)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 78807944
(2S)-N-(2-chloro-4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 92500015
[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-amino-5-nitrobenzoate
CID 55371379
2-(4-nitrophenyl)sulfanyl-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 51152877

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide (CID 92500032) is (2R)-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1c1cccs1.
What is the InChIKey of (2R)-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The InChIKey is CSHBCLWMJIHWFE-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-23-14-7-6-11(19(21)22)10-12(14)17-16(20)18-8-2-4-13(18)15-5-3-9-24-15/h3,5-7,9-10,13H,2,4,8H2,1H3,(H,17,20)/t13-/m1/s1.
What are the key properties of (2R)-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
(2R)-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 92500032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).