N-[4-[4-[[4-(2-cyclohexylacetyl)-3-methylpiperazin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide

C27H37N3O4S — CID 67038145

IUPACN-[4-[4-[[4-(2-cyclohexylacetyl)-3-methylpiperazin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide
SMILESCC1CN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc2)CCN1C(=O)CC1CCCCC1
InChIInChI=1S/C27H37N3O4S/c1-21-19-29(16-17-30(21)27(31)18-22-6-4-3-5-7-22)20-23-8-12-25(13-9-23)34-26-14-10-24(11-15-26)28-35(2,32)33/h8-15,21-22,28H,3-7,16-20H2,1-2H3
InChIKeyZQNJKCJRGDWRLO-UHFFFAOYSA-N
MW499.68 g/mol
LogP4.85
Rot. Bonds8

About N-[4-[4-[[4-(2-cyclohexylacetyl)-3-methylpiperazin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide

N-[4-[4-[[4-(2-cyclohexylacetyl)-3-methylpiperazin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide (PubChem CID 67038145) has the molecular formula C27H37N3O4S and a molecular weight of 499.68 g/mol. Its IUPAC name is N-[4-[4-[[4-(2-cyclohexylacetyl)-3-methylpiperazin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-[[4-(2-cyclohexylacetyl)-3-methylpiperazin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide
PubChem CID67038145
Molecular FormulaC27H37N3O4S
Molecular Weight499.68 g/mol
Exact Mass499.25
IUPAC NameN-[4-[4-[[4-(2-cyclohexylacetyl)-3-methylpiperazin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide
SMILESCC1CN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc2)CCN1C(=O)CC1CCCCC1
InChIInChI=1S/C27H37N3O4S/c1-21-19-29(16-17-30(21)27(31)18-22-6-4-3-5-7-22)20-23-8-12-25(13-9-23)34-26-14-10-24(11-15-26)28-35(2,32)33/h8-15,21-22,28H,3-7,16-20H2,1-2H3
InChIKeyZQNJKCJRGDWRLO-UHFFFAOYSA-N
XLogP4.85
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.68
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[4-[[4-(2-cyclohexylacetyl)-3-methylpiperazin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide with MolForge

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Related Compounds

1-cyclohexyl-3-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea
CID 67037946
3-cyclohexyl-N-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]propanamide;hydrochloride
CID 67038765
1-(2-cyclohexylethyl)-3-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea
CID 67038433
3-(2-cyclohexylethyl)-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]-1-methylurea
CID 67037838
N-(cyclohexylmethyl)-2-[4-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperazin-1-yl]hexanamide;dihydrochloride
CID 67038771
3-(2-cyclohexylethyl)-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]-1-methylurea;hydrochloride
CID 67037837
N-cyclohexyl-2-[4-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperazin-1-yl]pentanamide;dihydrochloride
CID 67037663
3-(cyclohexylmethyl)-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]-1-(2-methoxyethyl)urea
CID 67038312
3-(2-cyclohexylethyl)-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]-1-propylurea
CID 67037786
N-(2-cyclohexylethyl)-2-[[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]amino]propanamide
CID 142676800
N-butyl-N-(cyclohexylmethyl)-1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidine-4-carboxamide
CID 67037683
N-cyclohexyl-2-[4-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperazin-1-yl]hexanamide;dihydrochloride
CID 67038168

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[4-(2-cyclohexylacetyl)-3-methylpiperazin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[4-[[4-(2-cyclohexylacetyl)-3-methylpiperazin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide (CID 67038145) is N-[4-[4-[[4-(2-cyclohexylacetyl)-3-methylpiperazin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[4-[[4-(2-cyclohexylacetyl)-3-methylpiperazin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[4-[[4-(2-cyclohexylacetyl)-3-methylpiperazin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide is CC1CN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc2)CCN1C(=O)CC1CCCCC1.
What is the InChIKey of N-[4-[4-[[4-(2-cyclohexylacetyl)-3-methylpiperazin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide?
The InChIKey is ZQNJKCJRGDWRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O4S/c1-21-19-29(16-17-30(21)27(31)18-22-6-4-3-5-7-22)20-23-8-12-25(13-9-23)34-26-14-10-24(11-15-26)28-35(2,32)33/h8-15,21-22,28H,3-7,16-20H2,1-2H3.
What are the key properties of N-[4-[4-[[4-(2-cyclohexylacetyl)-3-methylpiperazin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide?
N-[4-[4-[[4-(2-cyclohexylacetyl)-3-methylpiperazin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide has a molecular weight of 499.68 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[[4-(2-cyclohexylacetyl)-3-methylpiperazin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide is sourced from PubChem (CID 67038145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).