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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Related Compounds

1-butylsulfonyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 78888807
1-propylsulfonyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 78865337
(2S)-N-(4-bromophenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 51962204
N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240454
N-[4-(1H-imidazol-2-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 60613372
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51241414
N-[4-(4-benzylpiperazin-1-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 55429765
methyl 2-[[2-[4-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]phenyl]acetyl]amino]acetate
CID 55880512
N-[4-(2-chlorophenoxy)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 55453705
N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240451
methyl N-[4-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]carbamate
CID 55880907
N-[4-(diethylamino)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51240484

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).