N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]cyclohexanecarboxamide

C24H38N4O3S — CID 17422008

IUPACN-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]cyclohexanecarboxamide
SMILESCCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)C2CCCCC2)CC1
InChIInChI=1S/C24H38N4O3S/c1-2-26-15-17-27(18-16-26)23-12-11-21(32(30,31)28-13-7-4-8-14-28)19-22(23)25-24(29)20-9-5-3-6-10-20/h11-12,19-20H,2-10,13-18H2,1H3,(H,25,29)
InChIKeyFOJSKLWJTFQZIZ-UHFFFAOYSA-N
MW462.66 g/mol
LogP3.52
Rot. Bonds6

About N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]cyclohexanecarboxamide

N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]cyclohexanecarboxamide (PubChem CID 17422008) has the molecular formula C24H38N4O3S and a molecular weight of 462.66 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]cyclohexanecarboxamide
PubChem CID17422008
Molecular FormulaC24H38N4O3S
Molecular Weight462.66 g/mol
Exact Mass462.27
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]cyclohexanecarboxamide
SMILESCCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)C2CCCCC2)CC1
InChIInChI=1S/C24H38N4O3S/c1-2-26-15-17-27(18-16-26)23-12-11-21(32(30,31)28-13-7-4-8-14-28)19-22(23)25-24(29)20-9-5-3-6-10-20/h11-12,19-20H,2-10,13-18H2,1H3,(H,25,29)
InChIKeyFOJSKLWJTFQZIZ-UHFFFAOYSA-N
XLogP3.52
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.66
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide
CID 3938418
1-(benzenesulfonyl)-N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]piperidine-4-carboxamide
CID 30862286
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 18074440
5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]thiophene-2-carboxamide
CID 25337195
N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-fluorobenzamide
CID 24979568
N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-2-phenoxyacetamide
CID 24980516
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 7551095
N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-2-(3-fluorophenyl)acetamide
CID 25332698
N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-phenylbutanamide
CID 24979456
(E)-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 24979598
N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-(trifluoromethyl)benzamide
CID 24979965
4-(difluoromethoxy)-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]benzamide
CID 24980976

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]cyclohexanecarboxamide (CID 17422008) is N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]cyclohexanecarboxamide is CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)C2CCCCC2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]cyclohexanecarboxamide?
The InChIKey is FOJSKLWJTFQZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O3S/c1-2-26-15-17-27(18-16-26)23-12-11-21(32(30,31)28-13-7-4-8-14-28)19-22(23)25-24(29)20-9-5-3-6-10-20/h11-12,19-20H,2-10,13-18H2,1H3,(H,25,29).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]cyclohexanecarboxamide?
N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]cyclohexanecarboxamide has a molecular weight of 462.66 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]cyclohexanecarboxamide is sourced from PubChem (CID 17422008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).