3-[4-(propylsulfamoyl)phenyl]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]propanamide

C24H33N3O5S2 — CID 100796461

IUPAC3-[4-(propylsulfamoyl)phenyl]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]propanamide
SMILESCCCNS(=O)(=O)c1ccc(CCC(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C24H33N3O5S2/c1-2-16-26-33(29,30)22-10-5-20(6-11-22)9-14-24(28)25-17-15-21-7-12-23(13-8-21)34(31,32)27-18-3-4-19-27/h5-8,10-13,26H,2-4,9,14-19H2,1H3,(H,25,28)
InChIKeyBTDFHTVLAPXHCO-UHFFFAOYSA-N
MW507.68 g/mol
LogP2.45
Rot. Bonds12

About 3-[4-(propylsulfamoyl)phenyl]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]propanamide

3-[4-(propylsulfamoyl)phenyl]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]propanamide (PubChem CID 100796461) has the molecular formula C24H33N3O5S2 and a molecular weight of 507.68 g/mol. Its IUPAC name is 3-[4-(propylsulfamoyl)phenyl]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[4-(propylsulfamoyl)phenyl]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]propanamide
PubChem CID100796461
Molecular FormulaC24H33N3O5S2
Molecular Weight507.68 g/mol
Exact Mass507.19
IUPAC Name3-[4-(propylsulfamoyl)phenyl]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]propanamide
SMILESCCCNS(=O)(=O)c1ccc(CCC(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C24H33N3O5S2/c1-2-16-26-33(29,30)22-10-5-20(6-11-22)9-14-24(28)25-17-15-21-7-12-23(13-8-21)34(31,32)27-18-3-4-19-27/h5-8,10-13,26H,2-4,9,14-19H2,1H3,(H,25,28)
InChIKeyBTDFHTVLAPXHCO-UHFFFAOYSA-N
XLogP2.45
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.68
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetamidoethyl)-3-[4-(azepan-1-ylsulfonyl)phenyl]propanamide
CID 9204753
3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]propanamide
CID 100796384
N-[2-(3-fluorophenyl)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 26996547
N-(3-aminopropyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119405466
3-[4-(ethylsulfamoyl)phenyl]-N-propylpropanamide
CID 2224602
3-[4-(tert-butylsulfamoyl)phenyl]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 28562799
N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9271161
3-[4-(diethylsulfamoyl)phenyl]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 28562876
4-(methanesulfonamido)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide
CID 30126367
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 43059010
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55735202
[2-oxo-2-(pentylamino)ethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate
CID 34941271

Frequently Asked Questions

What is the IUPAC name of 3-[4-(propylsulfamoyl)phenyl]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]propanamide?
The IUPAC name of 3-[4-(propylsulfamoyl)phenyl]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]propanamide (CID 100796461) is 3-[4-(propylsulfamoyl)phenyl]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[4-(propylsulfamoyl)phenyl]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]propanamide?
The canonical SMILES for 3-[4-(propylsulfamoyl)phenyl]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]propanamide is CCCNS(=O)(=O)c1ccc(CCC(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of 3-[4-(propylsulfamoyl)phenyl]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]propanamide?
The InChIKey is BTDFHTVLAPXHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O5S2/c1-2-16-26-33(29,30)22-10-5-20(6-11-22)9-14-24(28)25-17-15-21-7-12-23(13-8-21)34(31,32)27-18-3-4-19-27/h5-8,10-13,26H,2-4,9,14-19H2,1H3,(H,25,28).
What are the key properties of 3-[4-(propylsulfamoyl)phenyl]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]propanamide?
3-[4-(propylsulfamoyl)phenyl]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]propanamide has a molecular weight of 507.68 g/mol, XLogP of 2.45, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(propylsulfamoyl)phenyl]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]propanamide is sourced from PubChem (CID 100796461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).