4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-N-cyclohexylbenzamide

C25H38N2O4S — CID 58144692

IUPAC4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-N-cyclohexylbenzamide
SMILESCC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(C(=O)NC3CCCCC3)cc2)CC1
InChIInChI=1S/C25H38N2O4S/c1-25(2,3)32(30,31)18-20-13-15-27(16-14-20)23(28)17-19-9-11-21(12-10-19)24(29)26-22-7-5-4-6-8-22/h9-12,20,22H,4-8,13-18H2,1-3H3,(H,26,29)
InChIKeyNLQMHOBVXFVUIW-UHFFFAOYSA-N
MW462.66 g/mol
LogP3.74
Rot. Bonds6

About 4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-N-cyclohexylbenzamide

4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-N-cyclohexylbenzamide (PubChem CID 58144692) has the molecular formula C25H38N2O4S and a molecular weight of 462.66 g/mol. Its IUPAC name is 4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-N-cyclohexylbenzamide
PubChem CID58144692
Molecular FormulaC25H38N2O4S
Molecular Weight462.66 g/mol
Exact Mass462.26
IUPAC Name4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-N-cyclohexylbenzamide
SMILESCC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(C(=O)NC3CCCCC3)cc2)CC1
InChIInChI=1S/C25H38N2O4S/c1-25(2,3)32(30,31)18-20-13-15-27(16-14-20)23(28)17-19-9-11-21(12-10-19)24(29)26-22-7-5-4-6-8-22/h9-12,20,22H,4-8,13-18H2,1-3H3,(H,26,29)
InChIKeyNLQMHOBVXFVUIW-UHFFFAOYSA-N
XLogP3.74
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.66
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Piperidine Derivative 3m
CID 14096766
3-[(1R,5S)-8-[2-[cyclohexylmethyl-(2-methylsulfonylacetyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 67183276
N-benzyl-4-[1-[4-(hydroxyamino)-3-methyl-3-methylsulfonyl-4-oxobutyl]-2-oxo-4-pyridinyl]benzamide
CID 167458918
H-Cpa-Gly-Gly-Phe-Met-NH2
CID 44439866
N-((1S)-3-(4-(N-ethyl-2-(4-(methylsulfonyl)phenyl)acetamido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590681
N-[(2S)-1-[(4-cyano-1,1-dioxothian-4-yl)amino]-4-methyl-1-oxopentan-2-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 145967715
N-[(2S)-1-[(4-cyano-1,1-dioxothian-4-yl)amino]-4-methyl-1-oxopentan-2-yl]-4-phenylbenzamide
CID 145989037
N-[1-(4-benzoylpiperazin-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 4963699
4-(cyclohexyl-piperazin-1-yl-methyl)-N,N-diethyl-benzamide
CID 10642101
N,N-Diethyl-4-[(4-methylsulfanyl-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10692042
N-[(3S)-1-[(1S,2R,4R)-2-(ethylsulfonylmethyl)-4-[methyl(propan-2-yl)amino]cyclohexyl]-2-oxopyrrolidin-3-yl]-3-phenylbenzamide
CID 68867935
N-(2-cyclohexylethyl)-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 71460258

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-N-cyclohexylbenzamide?
The IUPAC name of 4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-N-cyclohexylbenzamide (CID 58144692) is 4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-N-cyclohexylbenzamide.
What is the SMILES notation for 4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-N-cyclohexylbenzamide?
The canonical SMILES for 4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-N-cyclohexylbenzamide is CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(C(=O)NC3CCCCC3)cc2)CC1.
What is the InChIKey of 4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-N-cyclohexylbenzamide?
The InChIKey is NLQMHOBVXFVUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O4S/c1-25(2,3)32(30,31)18-20-13-15-27(16-14-20)23(28)17-19-9-11-21(12-10-19)24(29)26-22-7-5-4-6-8-22/h9-12,20,22H,4-8,13-18H2,1-3H3,(H,26,29).
What are the key properties of 4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-N-cyclohexylbenzamide?
4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-N-cyclohexylbenzamide has a molecular weight of 462.66 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-N-cyclohexylbenzamide is sourced from PubChem (CID 58144692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).