N-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-3-yl]ethanesulfonamide

C20H32N2O4S — CID 47082365

IUPACN-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCCN(C(=O)C(C)Oc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C20H32N2O4S/c1-6-27(24,25)21-17-8-7-13-22(14-17)19(23)15(2)26-18-11-9-16(10-12-18)20(3,4)5/h9-12,15,17,21H,6-8,13-14H2,1-5H3
InChIKeyMXILSTMWZZLWHT-UHFFFAOYSA-N
MW396.55 g/mol
LogP2.68
Rot. Bonds6

About N-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-3-yl]ethanesulfonamide

N-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-3-yl]ethanesulfonamide (PubChem CID 47082365) has the molecular formula C20H32N2O4S and a molecular weight of 396.55 g/mol. Its IUPAC name is N-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-3-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-3-yl]ethanesulfonamide
PubChem CID47082365
Molecular FormulaC20H32N2O4S
Molecular Weight396.55 g/mol
Exact Mass396.21
IUPAC NameN-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCCN(C(=O)C(C)Oc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C20H32N2O4S/c1-6-27(24,25)21-17-8-7-13-22(14-17)19(23)15(2)26-18-11-9-16(10-12-18)20(3,4)5/h9-12,15,17,21H,6-8,13-14H2,1-5H3
InChIKeyMXILSTMWZZLWHT-UHFFFAOYSA-N
XLogP2.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.55
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-4-yl]propane-1-sulfonamide
CID 55655152
2-(4-tert-butylphenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119395820
2-(4-tert-butylphenoxy)-1-[4-[2-(4-tert-butylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 17046898
2-(4-bromophenoxy)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119493382
(2R)-2-(4-tert-butylphenoxy)-1-[(3S)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one
CID 97213552
(2S)-2-(4-tert-butylphenoxy)-1-[(3R)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one
CID 97213549
tert-butyl 3-(ethylsulfonylamino)piperidine-1-carboxylate
CID 75994051
2-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-4-yl]acetic acid
CID 119177809
4-[2-(4-tert-butylphenoxy)propanoyl]-N,N-diethylpiperazine-1-sulfonamide
CID 55493812
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]butane-1-sulfonamide
CID 108565183
N-[(3R)-1-[(2S)-2-ethoxypropanoyl]piperidin-3-yl]methanesulfonamide
CID 95133875
(2R)-2-(4-tert-butylphenoxy)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 6554590

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-3-yl]ethanesulfonamide?
The IUPAC name of N-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-3-yl]ethanesulfonamide (CID 47082365) is N-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-3-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-3-yl]ethanesulfonamide?
The canonical SMILES for N-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-3-yl]ethanesulfonamide is CCS(=O)(=O)NC1CCCN(C(=O)C(C)Oc2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of N-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-3-yl]ethanesulfonamide?
The InChIKey is MXILSTMWZZLWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4S/c1-6-27(24,25)21-17-8-7-13-22(14-17)19(23)15(2)26-18-11-9-16(10-12-18)20(3,4)5/h9-12,15,17,21H,6-8,13-14H2,1-5H3.
What are the key properties of N-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-3-yl]ethanesulfonamide?
N-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-3-yl]ethanesulfonamide has a molecular weight of 396.55 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-3-yl]ethanesulfonamide is sourced from PubChem (CID 47082365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).