N-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide

C15H17N3OS — CID 89183234

IUPACN-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)N1CCCC1
InChIInChI=1S/C15H17N3OS/c16-12-6-5-11(14-4-3-9-20-14)10-13(12)17-15(19)18-7-1-2-8-18/h3-6,9-10H,1-2,7-8,16H2,(H,17,19)
InChIKeyBQDITDVPNSYMJY-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.62
Rot. Bonds2

About N-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide

N-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide (PubChem CID 89183234) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide
PubChem CID89183234
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)N1CCCC1
InChIInChI=1S/C15H17N3OS/c16-12-6-5-11(14-4-3-9-20-14)10-13(12)17-15(19)18-7-1-2-8-18/h3-6,9-10H,1-2,7-8,16H2,(H,17,19)
InChIKeyBQDITDVPNSYMJY-UHFFFAOYSA-N
XLogP3.62
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide (CID 89183234) is N-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide is Nc1ccc(-c2cccs2)cc1NC(=O)N1CCCC1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is BQDITDVPNSYMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c16-12-6-5-11(14-4-3-9-20-14)10-13(12)17-15(19)18-7-1-2-8-18/h3-6,9-10H,1-2,7-8,16H2,(H,17,19).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide?
N-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 89183234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).