1-[4-(diethylsulfamoyl)phenyl]-N-[3-(2-methylimidazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide

C22H31N5O4S — CID 55818832

IUPAC1-[4-(diethylsulfamoyl)phenyl]-N-[3-(2-methylimidazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CC(C(=O)NCCCn3ccnc3C)CC2=O)cc1
InChIInChI=1S/C22H31N5O4S/c1-4-26(5-2)32(30,31)20-9-7-19(8-10-20)27-16-18(15-21(27)28)22(29)24-11-6-13-25-14-12-23-17(25)3/h7-10,12,14,18H,4-6,11,13,15-16H2,1-3H3,(H,24,29)
InChIKeyDMRQONRXOBIZHD-UHFFFAOYSA-N
MW461.59 g/mol
LogP1.78
Rot. Bonds10

About 1-[4-(diethylsulfamoyl)phenyl]-N-[3-(2-methylimidazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide

1-[4-(diethylsulfamoyl)phenyl]-N-[3-(2-methylimidazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55818832) has the molecular formula C22H31N5O4S and a molecular weight of 461.59 g/mol. Its IUPAC name is 1-[4-(diethylsulfamoyl)phenyl]-N-[3-(2-methylimidazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(diethylsulfamoyl)phenyl]-N-[3-(2-methylimidazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55818832
Molecular FormulaC22H31N5O4S
Molecular Weight461.59 g/mol
Exact Mass461.21
IUPAC Name1-[4-(diethylsulfamoyl)phenyl]-N-[3-(2-methylimidazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CC(C(=O)NCCCn3ccnc3C)CC2=O)cc1
InChIInChI=1S/C22H31N5O4S/c1-4-26(5-2)32(30,31)20-9-7-19(8-10-20)27-16-18(15-21(27)28)22(29)24-11-6-13-25-14-12-23-17(25)3/h7-10,12,14,18H,4-6,11,13,15-16H2,1-3H3,(H,24,29)
InChIKeyDMRQONRXOBIZHD-UHFFFAOYSA-N
XLogP1.78
TPSA104.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 51.78
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-[4-(diethylsulfamoyl)phenyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide
CID 46515706
N-(2-aminoethyl)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 119383439
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(2-methylimidazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 55958854
(3R)-N-butyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 9402507
(3R)-1-[4-(diethylsulfamoyl)phenyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 40796147
(3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 8623353
(3R)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 40972179
(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 40972180
(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 2578218
1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 55358524
(3R)-N-[4-(diethylsulfamoyl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40964253
ethyl 4-[[1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 17321875

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylsulfamoyl)phenyl]-N-[3-(2-methylimidazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-(diethylsulfamoyl)phenyl]-N-[3-(2-methylimidazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide (CID 55818832) is 1-[4-(diethylsulfamoyl)phenyl]-N-[3-(2-methylimidazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-(diethylsulfamoyl)phenyl]-N-[3-(2-methylimidazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-(diethylsulfamoyl)phenyl]-N-[3-(2-methylimidazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(N2CC(C(=O)NCCCn3ccnc3C)CC2=O)cc1.
What is the InChIKey of 1-[4-(diethylsulfamoyl)phenyl]-N-[3-(2-methylimidazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DMRQONRXOBIZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O4S/c1-4-26(5-2)32(30,31)20-9-7-19(8-10-20)27-16-18(15-21(27)28)22(29)24-11-6-13-25-14-12-23-17(25)3/h7-10,12,14,18H,4-6,11,13,15-16H2,1-3H3,(H,24,29).
What are the key properties of 1-[4-(diethylsulfamoyl)phenyl]-N-[3-(2-methylimidazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
1-[4-(diethylsulfamoyl)phenyl]-N-[3-(2-methylimidazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 461.59 g/mol, XLogP of 1.78, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylsulfamoyl)phenyl]-N-[3-(2-methylimidazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55818832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).