N-(4-imidazol-1-ylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide

C17H22N4O3S — CID 86920866

IUPACN-(4-imidazol-1-ylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H22N4O3S/c1-2-12-25(23,24)21-10-3-4-16(21)17(22)19-14-5-7-15(8-6-14)20-11-9-18-13-20/h5-9,11,13,16H,2-4,10,12H2,1H3,(H,19,22)
InChIKeyIPCFQCVUSLWEJO-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.02
Rot. Bonds6

About N-(4-imidazol-1-ylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide

N-(4-imidazol-1-ylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide (PubChem CID 86920866) has the molecular formula C17H22N4O3S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(4-imidazol-1-ylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-imidazol-1-ylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
PubChem CID86920866
Molecular FormulaC17H22N4O3S
Molecular Weight362.45 g/mol
Exact Mass362.14
IUPAC NameN-(4-imidazol-1-ylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H22N4O3S/c1-2-12-25(23,24)21-10-3-4-16(21)17(22)19-14-5-7-15(8-6-14)20-11-9-18-13-20/h5-9,11,13,16H,2-4,10,12H2,1H3,(H,19,22)
InChIKeyIPCFQCVUSLWEJO-UHFFFAOYSA-N
XLogP2.02
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(4-imidazol-1-ylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide (CID 86920866) is N-(4-imidazol-1-ylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-imidazol-1-ylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-imidazol-1-ylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)Nc1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-(4-imidazol-1-ylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is IPCFQCVUSLWEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-2-12-25(23,24)21-10-3-4-16(21)17(22)19-14-5-7-15(8-6-14)20-11-9-18-13-20/h5-9,11,13,16H,2-4,10,12H2,1H3,(H,19,22).
What are the key properties of N-(4-imidazol-1-ylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
N-(4-imidazol-1-ylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 86920866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).