N-cyclohexyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]benzamide

C24H36N2O4S — CID 58144366

IUPACN-cyclohexyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]benzamide
SMILESCC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(C(=O)NC3CCCCC3)cc2)CC1
InChIInChI=1S/C24H36N2O4S/c1-18(2)31(29,30)17-20-12-14-26(15-13-20)23(27)16-19-8-10-21(11-9-19)24(28)25-22-6-4-3-5-7-22/h8-11,18,20,22H,3-7,12-17H2,1-2H3,(H,25,28)
InChIKeyLJCNAGQICLWVAY-UHFFFAOYSA-N
MW448.63 g/mol
LogP3.35
Rot. Bonds7

About N-cyclohexyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]benzamide

N-cyclohexyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]benzamide (PubChem CID 58144366) has the molecular formula C24H36N2O4S and a molecular weight of 448.63 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]benzamide
PubChem CID58144366
Molecular FormulaC24H36N2O4S
Molecular Weight448.63 g/mol
Exact Mass448.24
IUPAC NameN-cyclohexyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]benzamide
SMILESCC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(C(=O)NC3CCCCC3)cc2)CC1
InChIInChI=1S/C24H36N2O4S/c1-18(2)31(29,30)17-20-12-14-26(15-13-20)23(27)16-19-8-10-21(11-9-19)24(28)25-22-6-4-3-5-7-22/h8-11,18,20,22H,3-7,12-17H2,1-2H3,(H,25,28)
InChIKeyLJCNAGQICLWVAY-UHFFFAOYSA-N
XLogP3.35
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.63
LogP ≤ 53.35
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 N-cyclohexyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]benzamide?
The IUPAC name of N-cyclohexyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]benzamide (CID 58144366) is N-cyclohexyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]benzamide?
The canonical SMILES for N-cyclohexyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]benzamide is CC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(C(=O)NC3CCCCC3)cc2)CC1.
What is the InChIKey of N-cyclohexyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]benzamide?
The InChIKey is LJCNAGQICLWVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O4S/c1-18(2)31(29,30)17-20-12-14-26(15-13-20)23(27)16-19-8-10-21(11-9-19)24(28)25-22-6-4-3-5-7-22/h8-11,18,20,22H,3-7,12-17H2,1-2H3,(H,25,28).
What are the key properties of N-cyclohexyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]benzamide?
N-cyclohexyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]benzamide has a molecular weight of 448.63 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 58144366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).