N-(3-imidazol-1-ylpropyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide

C19H26N4O4S — CID 43888426

IUPACN-(3-imidazol-1-ylpropyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccc(C)c(S(=O)(=O)N2CCCC2C(=O)NCCCn2ccnc2)c1
InChIInChI=1S/C19H26N4O4S/c1-15-6-7-16(27-2)13-18(15)28(25,26)23-11-3-5-17(23)19(24)21-8-4-10-22-12-9-20-14-22/h6-7,9,12-14,17H,3-5,8,10-11H2,1-2H3,(H,21,24)
InChIKeyLIZSJRDYBNSNEO-UHFFFAOYSA-N
MW406.51 g/mol
LogP1.56
Rot. Bonds8

About N-(3-imidazol-1-ylpropyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide

N-(3-imidazol-1-ylpropyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 43888426) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID43888426
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC NameN-(3-imidazol-1-ylpropyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccc(C)c(S(=O)(=O)N2CCCC2C(=O)NCCCn2ccnc2)c1
InChIInChI=1S/C19H26N4O4S/c1-15-6-7-16(27-2)13-18(15)28(25,26)23-11-3-5-17(23)19(24)21-8-4-10-22-12-9-20-14-22/h6-7,9,12-14,17H,3-5,8,10-11H2,1-2H3,(H,21,24)
InChIKeyLIZSJRDYBNSNEO-UHFFFAOYSA-N
XLogP1.56
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(5-methoxy-2-methylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide
CID 43888284
1-(5-methoxy-2-methylphenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 43888306
N-tert-butyl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 43888288
(2R)-N-tert-butyl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 30127642
(2S)-N,N-diethyl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 30127968
(2R)-1-(5-methoxy-2-methylphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 30128088
butyl 4-[[(2R)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate
CID 30128167
butyl 4-[[(2S)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate
CID 30128164
(2S)-N-(2,6-difluorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 30127867
1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-5-methoxy-2-methylindole-3-carboxamide
CID 112767949
(4-ethylpiperazin-1-yl)-[(2S)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 30128102
(2R)-N-(2,4-dichlorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 30127843

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 43888426) is N-(3-imidazol-1-ylpropyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide is COc1ccc(C)c(S(=O)(=O)N2CCCC2C(=O)NCCCn2ccnc2)c1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is LIZSJRDYBNSNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-15-6-7-16(27-2)13-18(15)28(25,26)23-11-3-5-17(23)19(24)21-8-4-10-22-12-9-20-14-22/h6-7,9,12-14,17H,3-5,8,10-11H2,1-2H3,(H,21,24).
What are the key properties of N-(3-imidazol-1-ylpropyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
N-(3-imidazol-1-ylpropyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 43888426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).