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

C23H36N2O4S — CID 58144649

IUPACN-butan-2-yl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCCC(C)NC(=O)c1ccc(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C23H36N2O4S/c1-6-17(2)24-22(27)20-9-7-18(8-10-20)15-21(26)25-13-11-19(12-14-25)16-30(28,29)23(3,4)5/h7-10,17,19H,6,11-16H2,1-5H3,(H,24,27)
InChIKeyHRRXJOXUPHEXSS-UHFFFAOYSA-N
MW436.62 g/mol
LogP3.21
Rot. Bonds7

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

N-butan-2-yl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 58144649) has the molecular formula C23H36N2O4S and a molecular weight of 436.62 g/mol. Its IUPAC name is N-butan-2-yl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID58144649
Molecular FormulaC23H36N2O4S
Molecular Weight436.62 g/mol
Exact Mass436.24
IUPAC NameN-butan-2-yl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCCC(C)NC(=O)c1ccc(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C23H36N2O4S/c1-6-17(2)24-22(27)20-9-7-18(8-10-20)15-21(26)25-13-11-19(12-14-25)16-30(28,29)23(3,4)5/h7-10,17,19H,6,11-16H2,1-5H3,(H,24,27)
InChIKeyHRRXJOXUPHEXSS-UHFFFAOYSA-N
XLogP3.21
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.62
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(N'-cyano-N,N'-dimethylhydrazinecarbonyl)-2-(2-methylpropanesulfonyl)ethyl]benzamide
CID 60148519
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-[(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-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
CID 71716253
4-[[benzyl(propyl)amino]methyl]-N-[(4-ethylsulfonylphenyl)methyl]benzamide
CID 141738544
[4-[2-[Bis(4-fluorophenyl)methylsulfinyl]ethylamino]piperidin-1-yl]-phenylmethanone
CID 142590712
[4-[2-[Bis(4-fluorophenyl)methylsulfinyl]ethylamino]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 142590720
4-methyl-N-{2-[(4-methylbenzyl)thio]ethyl}benzamide
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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-butan-2-yl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide (CID 58144649) is N-butan-2-yl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-butan-2-yl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-butan-2-yl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide is CCC(C)NC(=O)c1ccc(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc1.
What is the InChIKey of N-butan-2-yl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is HRRXJOXUPHEXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O4S/c1-6-17(2)24-22(27)20-9-7-18(8-10-20)15-21(26)25-13-11-19(12-14-25)16-30(28,29)23(3,4)5/h7-10,17,19H,6,11-16H2,1-5H3,(H,24,27).
What are the key properties of N-butan-2-yl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide?
N-butan-2-yl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 436.62 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 58144649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).