N-cyclopentyl-3-[4-(4-sulfamoylphenyl)sulfonylpiperazin-1-yl]propanamide

C18H28N4O5S2 — CID 55989752

IUPACN-cyclopentyl-3-[4-(4-sulfamoylphenyl)sulfonylpiperazin-1-yl]propanamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCC(=O)NC3CCCC3)CC2)cc1
InChIInChI=1S/C18H28N4O5S2/c19-28(24,25)16-5-7-17(8-6-16)29(26,27)22-13-11-21(12-14-22)10-9-18(23)20-15-3-1-2-4-15/h5-8,15H,1-4,9-14H2,(H,20,23)(H2,19,24,25)
InChIKeyWWEHNAJOFLOTRB-UHFFFAOYSA-N
MW444.58 g/mol
LogP0.09
Rot. Bonds7

About N-cyclopentyl-3-[4-(4-sulfamoylphenyl)sulfonylpiperazin-1-yl]propanamide

N-cyclopentyl-3-[4-(4-sulfamoylphenyl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 55989752) has the molecular formula C18H28N4O5S2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-cyclopentyl-3-[4-(4-sulfamoylphenyl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[4-(4-sulfamoylphenyl)sulfonylpiperazin-1-yl]propanamide
PubChem CID55989752
Molecular FormulaC18H28N4O5S2
Molecular Weight444.58 g/mol
Exact Mass444.15
IUPAC NameN-cyclopentyl-3-[4-(4-sulfamoylphenyl)sulfonylpiperazin-1-yl]propanamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCC(=O)NC3CCCC3)CC2)cc1
InChIInChI=1S/C18H28N4O5S2/c19-28(24,25)16-5-7-17(8-6-16)29(26,27)22-13-11-21(12-14-22)10-9-18(23)20-15-3-1-2-4-15/h5-8,15H,1-4,9-14H2,(H,20,23)(H2,19,24,25)
InChIKeyWWEHNAJOFLOTRB-UHFFFAOYSA-N
XLogP0.09
TPSA129.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-cyclopentylpropanamide
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N-cyclopropyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
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N-cyclohexyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide
CID 109059487
3-(azepan-1-yl)-N-cyclohexylpropanamide
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N-cyclohexyl-3-pyrrolidin-1-ylpropanamide
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N-cyclohexyl-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
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[2-(cycloheptylamino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
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CID 60706788

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[4-(4-sulfamoylphenyl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of N-cyclopentyl-3-[4-(4-sulfamoylphenyl)sulfonylpiperazin-1-yl]propanamide (CID 55989752) is N-cyclopentyl-3-[4-(4-sulfamoylphenyl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[4-(4-sulfamoylphenyl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopentyl-3-[4-(4-sulfamoylphenyl)sulfonylpiperazin-1-yl]propanamide is NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCC(=O)NC3CCCC3)CC2)cc1.
What is the InChIKey of N-cyclopentyl-3-[4-(4-sulfamoylphenyl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is WWEHNAJOFLOTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O5S2/c19-28(24,25)16-5-7-17(8-6-16)29(26,27)22-13-11-21(12-14-22)10-9-18(23)20-15-3-1-2-4-15/h5-8,15H,1-4,9-14H2,(H,20,23)(H2,19,24,25).
What are the key properties of N-cyclopentyl-3-[4-(4-sulfamoylphenyl)sulfonylpiperazin-1-yl]propanamide?
N-cyclopentyl-3-[4-(4-sulfamoylphenyl)sulfonylpiperazin-1-yl]propanamide has a molecular weight of 444.58 g/mol, XLogP of 0.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[4-(4-sulfamoylphenyl)sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 55989752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).