3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(4-sulfamoylphenyl)propanamide

C23H32N4O3S — CID 56526240

IUPAC3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(4-sulfamoylphenyl)propanamide
SMILESCCN(CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)C1CCN(C(C)c2ccccc2)C1
InChIInChI=1S/C23H32N4O3S/c1-3-26(21-13-15-27(17-21)18(2)19-7-5-4-6-8-19)16-14-23(28)25-20-9-11-22(12-10-20)31(24,29)30/h4-12,18,21H,3,13-17H2,1-2H3,(H,25,28)(H2,24,29,30)
InChIKeyRMRJHKBCHYGOPX-UHFFFAOYSA-N
MW444.60 g/mol
LogP2.82
Rot. Bonds9

About 3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(4-sulfamoylphenyl)propanamide

3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(4-sulfamoylphenyl)propanamide (PubChem CID 56526240) has the molecular formula C23H32N4O3S and a molecular weight of 444.60 g/mol. Its IUPAC name is 3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(4-sulfamoylphenyl)propanamide
PubChem CID56526240
Molecular FormulaC23H32N4O3S
Molecular Weight444.60 g/mol
Exact Mass444.22
IUPAC Name3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(4-sulfamoylphenyl)propanamide
SMILESCCN(CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)C1CCN(C(C)c2ccccc2)C1
InChIInChI=1S/C23H32N4O3S/c1-3-26(21-13-15-27(17-21)18(2)19-7-5-4-6-8-19)16-14-23(28)25-20-9-11-22(12-10-20)31(24,29)30/h4-12,18,21H,3,13-17H2,1-2H3,(H,25,28)(H2,24,29,30)
InChIKeyRMRJHKBCHYGOPX-UHFFFAOYSA-N
XLogP2.82
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(4-sulfamoylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(2-fluorophenyl)propanamide
CID 56526257
N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]acetamide
CID 98728851
N-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-sulfamoylbenzamide
CID 98728365
N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]acetamide
CID 51091141
3-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 24588553
N-(2-cyanoethyl)-2-[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]acetamide
CID 98755711
N-ethyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 51967625
N-ethyl-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 51967623
4-[1-[3-(diethylamino)pyrrolidin-1-yl]ethyl]phenol
CID 82979936
2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 42996416
2-[2-[ethyl-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]-2-oxoethyl]sulfanylacetamide
CID 98763399
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(4-sulfamoylphenyl)propanamide (CID 56526240) is 3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(4-sulfamoylphenyl)propanamide is CCN(CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)C1CCN(C(C)c2ccccc2)C1.
What is the InChIKey of 3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is RMRJHKBCHYGOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3S/c1-3-26(21-13-15-27(17-21)18(2)19-7-5-4-6-8-19)16-14-23(28)25-20-9-11-22(12-10-20)31(24,29)30/h4-12,18,21H,3,13-17H2,1-2H3,(H,25,28)(H2,24,29,30).
What are the key properties of 3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(4-sulfamoylphenyl)propanamide?
3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 444.60 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 56526240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).