3-(3-anilinopyrrolidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

C21H28N4O3S — CID 56526997

IUPAC3-(3-anilinopyrrolidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CCN2CCC(Nc3ccccc3)C2)cc1
InChIInChI=1S/C21H28N4O3S/c22-29(27,28)20-8-6-17(7-9-20)10-13-23-21(26)12-15-25-14-11-19(16-25)24-18-4-2-1-3-5-18/h1-9,19,24H,10-16H2,(H,23,26)(H2,22,27,28)
InChIKeyGANCEQLGYAVTDT-UHFFFAOYSA-N
MW416.55 g/mol
LogP1.57
Rot. Bonds9

About 3-(3-anilinopyrrolidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

3-(3-anilinopyrrolidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 56526997) has the molecular formula C21H28N4O3S and a molecular weight of 416.55 g/mol. Its IUPAC name is 3-(3-anilinopyrrolidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-anilinopyrrolidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID56526997
Molecular FormulaC21H28N4O3S
Molecular Weight416.55 g/mol
Exact Mass416.19
IUPAC Name3-(3-anilinopyrrolidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CCN2CCC(Nc3ccccc3)C2)cc1
InChIInChI=1S/C21H28N4O3S/c22-29(27,28)20-8-6-17(7-9-20)10-13-23-21(26)12-15-25-14-11-19(16-25)24-18-4-2-1-3-5-18/h1-9,19,24H,10-16H2,(H,23,26)(H2,22,27,28)
InChIKeyGANCEQLGYAVTDT-UHFFFAOYSA-N
XLogP1.57
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 46685647
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 120775592
2-(3-anilinopyrrolidin-1-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 56500528
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
3-(1-benzoylpiperidin-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 91911239
3-(benzenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 27538225
2-(4-cyclopentylpiperazin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 34422322
2-(4-benzylpiperazin-1-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108516978
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
2-[(3S)-3-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2099648
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(4-sulfamoylphenyl)acetamide
CID 25205608
4-(2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-5-yl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 20943469

Frequently Asked Questions

What is the IUPAC name of 3-(3-anilinopyrrolidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 3-(3-anilinopyrrolidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (CID 56526997) is 3-(3-anilinopyrrolidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3-anilinopyrrolidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(3-anilinopyrrolidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is NS(=O)(=O)c1ccc(CCNC(=O)CCN2CCC(Nc3ccccc3)C2)cc1.
What is the InChIKey of 3-(3-anilinopyrrolidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is GANCEQLGYAVTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3S/c22-29(27,28)20-8-6-17(7-9-20)10-13-23-21(26)12-15-25-14-11-19(16-25)24-18-4-2-1-3-5-18/h1-9,19,24H,10-16H2,(H,23,26)(H2,22,27,28).
What are the key properties of 3-(3-anilinopyrrolidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
3-(3-anilinopyrrolidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 416.55 g/mol, XLogP of 1.57, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-anilinopyrrolidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 56526997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).