N-cyclohexyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenesulfonamide

C20H30N2O4S — CID 1084693

IUPACN-cyclohexyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenesulfonamide
SMILESCC1CCN(C(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1
InChIInChI=1S/C20H30N2O4S/c1-16-11-13-22(14-12-16)20(23)15-26-18-7-9-19(10-8-18)27(24,25)21-17-5-3-2-4-6-17/h7-10,16-17,21H,2-6,11-15H2,1H3
InChIKeyUGLFEEKOHLTICU-UHFFFAOYSA-N
MW394.54 g/mol
LogP2.93
Rot. Bonds6

About N-cyclohexyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenesulfonamide

N-cyclohexyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenesulfonamide (PubChem CID 1084693) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenesulfonamide
PubChem CID1084693
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC NameN-cyclohexyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenesulfonamide
SMILESCC1CCN(C(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1
InChIInChI=1S/C20H30N2O4S/c1-16-11-13-22(14-12-16)20(23)15-26-18-7-9-19(10-8-18)27(24,25)21-17-5-3-2-4-6-17/h7-10,16-17,21H,2-6,11-15H2,1H3
InChIKeyUGLFEEKOHLTICU-UHFFFAOYSA-N
XLogP2.93
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-(cyclopentylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxamide
CID 6491970
N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 50823739
N-cyclopentyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzenesulfonamide
CID 45374149
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-methylacetamide
CID 45375238
N-[1-[2-(4-bromophenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 33162002
4-fluoro-N-[1-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperidin-4-yl]benzenesulfonamide
CID 60511265
4-chloro-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108565138
4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethoxy]-N-cyclopentylbenzenesulfonamide
CID 45375240
4-methoxy-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide
CID 110819170
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]ethanesulfonamide
CID 108566444
2-[4-(cyclopentylsulfamoyl)phenoxy]-N,N-diethylacetamide
CID 45374145
N-cycloheptyl-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide
CID 53057540

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenesulfonamide?
The IUPAC name of N-cyclohexyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenesulfonamide (CID 1084693) is N-cyclohexyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenesulfonamide is CC1CCN(C(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1.
What is the InChIKey of N-cyclohexyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenesulfonamide?
The InChIKey is UGLFEEKOHLTICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-16-11-13-22(14-12-16)20(23)15-26-18-7-9-19(10-8-18)27(24,25)21-17-5-3-2-4-6-17/h7-10,16-17,21H,2-6,11-15H2,1H3.
What are the key properties of N-cyclohexyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenesulfonamide?
N-cyclohexyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenesulfonamide has a molecular weight of 394.54 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenesulfonamide is sourced from PubChem (CID 1084693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).