2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

C20H35N5O5S2 — CID 55498702

IUPAC2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)CC1
InChIInChI=1S/C20H35N5O5S2/c1-6-24(7-2)32(29,30)25-14-12-23(13-15-25)17(5)20(26)21-18-8-10-19(11-9-18)31(27,28)22-16(3)4/h8-11,16-17,22H,6-7,12-15H2,1-5H3,(H,21,26)
InChIKeySAEMUOZWQLLLTB-UHFFFAOYSA-N
MW489.66 g/mol
LogP0.90
Rot. Bonds10

About 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 55498702) has the molecular formula C20H35N5O5S2 and a molecular weight of 489.66 g/mol. Its IUPAC name is 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
PubChem CID55498702
Molecular FormulaC20H35N5O5S2
Molecular Weight489.66 g/mol
Exact Mass489.21
IUPAC Name2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)CC1
InChIInChI=1S/C20H35N5O5S2/c1-6-24(7-2)32(29,30)25-14-12-23(13-15-25)17(5)20(26)21-18-8-10-19(11-9-18)31(27,28)22-16(3)4/h8-11,16-17,22H,6-7,12-15H2,1-5H3,(H,21,26)
InChIKeySAEMUOZWQLLLTB-UHFFFAOYSA-N
XLogP0.90
TPSA119.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.66
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-phenylpropanamide
CID 16597890
(2R)-2-(4-acetylpiperazin-1-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 9356723
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 16597974
(2S)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 11939371
methyl 1-[(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]piperidine-4-carboxylate
CID 9356817
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55498397
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-methylphenyl)-2-phenylacetamide
CID 16597867
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55601223
2-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55850324
(2R)-N-(4-acetamidophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 2473966
N-(cyclohexylcarbamoyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]propanamide
CID 55482420
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 61259711

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (CID 55498702) is 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is CCN(CC)S(=O)(=O)N1CCN(C(C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)CC1.
What is the InChIKey of 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is SAEMUOZWQLLLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O5S2/c1-6-24(7-2)32(29,30)25-14-12-23(13-15-25)17(5)20(26)21-18-8-10-19(11-9-18)31(27,28)22-16(3)4/h8-11,16-17,22H,6-7,12-15H2,1-5H3,(H,21,26).
What are the key properties of 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 489.66 g/mol, XLogP of 0.90, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 55498702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).