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

C17H25N3O5S — CID 113182530

IUPAC1-(3-methoxypropyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCOCCCN1CC(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1=O
InChIInChI=1S/C17H25N3O5S/c1-25-10-2-9-20-12-14(11-16(20)21)17(22)19-8-7-13-3-5-15(6-4-13)26(18,23)24/h3-6,14H,2,7-12H2,1H3,(H,19,22)(H2,18,23,24)
InChIKeyCQVHZAVMPYDINU-UHFFFAOYSA-N
MW383.47 g/mol
LogP-0.12
Rot. Bonds9

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

1-(3-methoxypropyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 113182530) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxypropyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
PubChem CID113182530
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC Name1-(3-methoxypropyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCOCCCN1CC(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1=O
InChIInChI=1S/C17H25N3O5S/c1-25-10-2-9-20-12-14(11-16(20)21)17(22)19-8-7-13-3-5-15(6-4-13)26(18,23)24/h3-6,14H,2,7-12H2,1H3,(H,19,22)(H2,18,23,24)
InChIKeyCQVHZAVMPYDINU-UHFFFAOYSA-N
XLogP-0.12
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182532
1-(2-methylpropyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 113182044
(3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 9365277
N-[2-(dimethylamino)ethyl]-5-oxo-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 113184969
N-(2-methoxyethyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182494
1-[2-(4-methoxyphenyl)ethyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113184609
1-butyl-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182004
N-[2-(2-fluorophenyl)ethyl]-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182519
N-[2-(2-methoxyphenyl)ethyl]-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182521
1-(4-butylphenyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 46585953
1-(3-methoxyphenyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 42652015
(3R)-5-oxo-1-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 9350652

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-methoxypropyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide (CID 113182530) is 1-(3-methoxypropyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-methoxypropyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-methoxypropyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide is COCCCN1CC(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1=O.
What is the InChIKey of 1-(3-methoxypropyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is CQVHZAVMPYDINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-25-10-2-9-20-12-14(11-16(20)21)17(22)19-8-7-13-3-5-15(6-4-13)26(18,23)24/h3-6,14H,2,7-12H2,1H3,(H,19,22)(H2,18,23,24).
What are the key properties of 1-(3-methoxypropyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide?
1-(3-methoxypropyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 383.47 g/mol, XLogP of -0.12, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 113182530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).