N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]cyclohexanecarboxamide

C19H29N3O3S — CID 7188789

IUPACN-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]cyclohexanecarboxamide
SMILESO=C(NCCS(=O)(=O)N1CCN(c2ccccc2)CC1)C1CCCCC1
InChIInChI=1S/C19H29N3O3S/c23-19(17-7-3-1-4-8-17)20-11-16-26(24,25)22-14-12-21(13-15-22)18-9-5-2-6-10-18/h2,5-6,9-10,17H,1,3-4,7-8,11-16H2,(H,20,23)
InChIKeySPZBWOLBKGOROP-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.83
Rot. Bonds6

About N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]cyclohexanecarboxamide

N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]cyclohexanecarboxamide (PubChem CID 7188789) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]cyclohexanecarboxamide
PubChem CID7188789
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]cyclohexanecarboxamide
SMILESO=C(NCCS(=O)(=O)N1CCN(c2ccccc2)CC1)C1CCCCC1
InChIInChI=1S/C19H29N3O3S/c23-19(17-7-3-1-4-8-17)20-11-16-26(24,25)22-14-12-21(13-15-22)18-9-5-2-6-10-18/h2,5-6,9-10,17H,1,3-4,7-8,11-16H2,(H,20,23)
InChIKeySPZBWOLBKGOROP-UHFFFAOYSA-N
XLogP1.83
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]cyclohexanecarboxamide (CID 7188789) is N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]cyclohexanecarboxamide is O=C(NCCS(=O)(=O)N1CCN(c2ccccc2)CC1)C1CCCCC1.
What is the InChIKey of N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]cyclohexanecarboxamide?
The InChIKey is SPZBWOLBKGOROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c23-19(17-7-3-1-4-8-17)20-11-16-26(24,25)22-14-12-21(13-15-22)18-9-5-2-6-10-18/h2,5-6,9-10,17H,1,3-4,7-8,11-16H2,(H,20,23).
What are the key properties of N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]cyclohexanecarboxamide?
N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]cyclohexanecarboxamide has a molecular weight of 379.53 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]cyclohexanecarboxamide is sourced from PubChem (CID 7188789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).