3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]propanamide

C26H38N4O3S — CID 51658596

IUPAC3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC[C@@H](C)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C26H38N4O3S/c1-4-30(5-2)34(32,33)25-14-11-23(12-15-25)13-16-26(31)27-21-22(3)28-17-19-29(20-18-28)24-9-7-6-8-10-24/h6-12,14-15,22H,4-5,13,16-21H2,1-3H3,(H,27,31)/t22-/m1/s1
InChIKeyIMPZWGPIQRWQAG-JOCHJYFZSA-N
MW486.68 g/mol
LogP2.98
Rot. Bonds11

About 3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]propanamide

3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]propanamide (PubChem CID 51658596) has the molecular formula C26H38N4O3S and a molecular weight of 486.68 g/mol. Its IUPAC name is 3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]propanamide
PubChem CID51658596
Molecular FormulaC26H38N4O3S
Molecular Weight486.68 g/mol
Exact Mass486.27
IUPAC Name3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC[C@@H](C)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C26H38N4O3S/c1-4-30(5-2)34(32,33)25-14-11-23(12-15-25)13-16-26(31)27-21-22(3)28-17-19-29(20-18-28)24-9-7-6-8-10-24/h6-12,14-15,22H,4-5,13,16-21H2,1-3H3,(H,27,31)/t22-/m1/s1
InChIKeyIMPZWGPIQRWQAG-JOCHJYFZSA-N
XLogP2.98
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.68
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-ethylphenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 55695053
N-[2-(diethylamino)-2-phenylethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 46528972
3-[4-(diethylsulfamoyl)phenyl]-N-[(2S)-2-(dimethylamino)-2-phenylethyl]propanamide
CID 32732309
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(methylamino)propyl]propanamide
CID 120828761
4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 120566019
3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride
CID 120654006
2-(4-aminophenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 119902072
3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 29206514
3-(5-chlorothiophen-2-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 60511690
(2R)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]propanoic acid
CID 119243803
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 78866038
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide
CID 46522728

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]propanamide?
The IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]propanamide (CID 51658596) is 3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]propanamide.
What is the SMILES notation for 3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]propanamide?
The canonical SMILES for 3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC[C@@H](C)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]propanamide?
The InChIKey is IMPZWGPIQRWQAG-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H38N4O3S/c1-4-30(5-2)34(32,33)25-14-11-23(12-15-25)13-16-26(31)27-21-22(3)28-17-19-29(20-18-28)24-9-7-6-8-10-24/h6-12,14-15,22H,4-5,13,16-21H2,1-3H3,(H,27,31)/t22-/m1/s1.
What are the key properties of 3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]propanamide?
3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]propanamide has a molecular weight of 486.68 g/mol, XLogP of 2.98, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]propanamide is sourced from PubChem (CID 51658596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).