N-[2-(dimethylamino)ethyl]-5-oxo-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide

C17H26N4O4S — CID 113184969

IUPACN-[2-(dimethylamino)ethyl]-5-oxo-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCN(C)CCNC(=O)C1CC(=O)N(CCc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C17H26N4O4S/c1-20(2)10-8-19-17(23)14-11-16(22)21(12-14)9-7-13-3-5-15(6-4-13)26(18,24)25/h3-6,14H,7-12H2,1-2H3,(H,19,23)(H2,18,24,25)
InChIKeyXPBJOSOJGQYWMB-UHFFFAOYSA-N
MW382.49 g/mol
LogP-0.60
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-5-oxo-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide

N-[2-(dimethylamino)ethyl]-5-oxo-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 113184969) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-oxo-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-oxo-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
PubChem CID113184969
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC NameN-[2-(dimethylamino)ethyl]-5-oxo-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCN(C)CCNC(=O)C1CC(=O)N(CCc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C17H26N4O4S/c1-20(2)10-8-19-17(23)14-11-16(22)21(12-14)9-7-13-3-5-15(6-4-13)26(18,24)25/h3-6,14H,7-12H2,1-2H3,(H,19,23)(H2,18,24,25)
InChIKeyXPBJOSOJGQYWMB-UHFFFAOYSA-N
XLogP-0.60
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxypropyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 113182530
1-(2-methylpropyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 113182044
(3S)-N-[2-[ethyl(methyl)amino]ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 95130021
4-[2-[2-oxo-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethyl]benzenesulfonamide
CID 113184960
N-[3-(dimethylamino)propyl]-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185267
1-[2-(2,4-dichlorophenyl)ethyl]-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113185893
(3R)-5-oxo-1-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 9350652
1-[2-(4-fluorophenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 17081606
(3S)-1-[2-(4-fluorophenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 9374348
(3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 9365277
1-(4-butylphenyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 46585953
(3S)-1-(2-methylphenyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 9351066

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-oxo-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-oxo-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide (CID 113184969) is N-[2-(dimethylamino)ethyl]-5-oxo-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-oxo-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-oxo-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide is CN(C)CCNC(=O)C1CC(=O)N(CCc2ccc(S(N)(=O)=O)cc2)C1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-oxo-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is XPBJOSOJGQYWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S/c1-20(2)10-8-19-17(23)14-11-16(22)21(12-14)9-7-13-3-5-15(6-4-13)26(18,24)25/h3-6,14H,7-12H2,1-2H3,(H,19,23)(H2,18,24,25).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-oxo-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide?
N-[2-(dimethylamino)ethyl]-5-oxo-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 382.49 g/mol, XLogP of -0.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-oxo-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 113184969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).