2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide

C17H29N5O5S2 — CID 16597974

IUPAC2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1
InChIInChI=1S/C17H29N5O5S2/c1-4-21(5-2)29(26,27)22-11-9-20(10-12-22)14(3)17(23)19-15-7-6-8-16(13-15)28(18,24)25/h6-8,13-14H,4-5,9-12H2,1-3H3,(H,19,23)(H2,18,24,25)
InChIKeyJXQLHMPRKNKZGU-UHFFFAOYSA-N
MW447.58 g/mol
LogP-0.13
Rot. Bonds8

About 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide

2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide (PubChem CID 16597974) has the molecular formula C17H29N5O5S2 and a molecular weight of 447.58 g/mol. Its IUPAC name is 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
PubChem CID16597974
Molecular FormulaC17H29N5O5S2
Molecular Weight447.58 g/mol
Exact Mass447.16
IUPAC Name2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1
InChIInChI=1S/C17H29N5O5S2/c1-4-21(5-2)29(26,27)22-11-9-20(10-12-22)14(3)17(23)19-15-7-6-8-16(13-15)28(18,24)25/h6-8,13-14H,4-5,9-12H2,1-3H3,(H,19,23)(H2,18,24,25)
InChIKeyJXQLHMPRKNKZGU-UHFFFAOYSA-N
XLogP-0.13
TPSA133.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 5-0.13
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-(azepan-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 41023511
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)acetamide
CID 43039531
(2S)-2-(4-phenylpiperazin-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 9250166
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55498702
2-[4-(2-nitrophenyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 24506732
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 45351379
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55498397
(2S)-2-(2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 9432096
3-chloro-2-methyl-N-(3-sulfamoylphenyl)propanamide
CID 55110486
2-[3-(methylamino)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide;hydrochloride
CID 119918280
(2S)-2-pyrrolidin-1-ium-1-yl-N-(3-sulfamoylphenyl)propanamide
CID 9274937

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide?
The IUPAC name of 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide (CID 16597974) is 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide.
What is the SMILES notation for 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide?
The canonical SMILES for 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide is CCN(CC)S(=O)(=O)N1CCN(C(C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1.
What is the InChIKey of 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide?
The InChIKey is JXQLHMPRKNKZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O5S2/c1-4-21(5-2)29(26,27)22-11-9-20(10-12-22)14(3)17(23)19-15-7-6-8-16(13-15)28(18,24)25/h6-8,13-14H,4-5,9-12H2,1-3H3,(H,19,23)(H2,18,24,25).
What are the key properties of 2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide?
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide has a molecular weight of 447.58 g/mol, XLogP of -0.13, 8 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-(3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 16597974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).