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

C22H34N2O4S — CID 58144334

IUPACN-tert-butyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]benzamide
SMILESCC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(C(=O)NC(C)(C)C)cc2)CC1
InChIInChI=1S/C22H34N2O4S/c1-16(2)29(27,28)15-18-10-12-24(13-11-18)20(25)14-17-6-8-19(9-7-17)21(26)23-22(3,4)5/h6-9,16,18H,10-15H2,1-5H3,(H,23,26)
InChIKeyZMDLPFUWQHSPHI-UHFFFAOYSA-N
MW422.59 g/mol
LogP2.82
Rot. Bonds6

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

N-tert-butyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]benzamide (PubChem CID 58144334) has the molecular formula C22H34N2O4S and a molecular weight of 422.59 g/mol. Its IUPAC name is N-tert-butyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]benzamide
PubChem CID58144334
Molecular FormulaC22H34N2O4S
Molecular Weight422.59 g/mol
Exact Mass422.22
IUPAC NameN-tert-butyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]benzamide
SMILESCC(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(C(=O)NC(C)(C)C)cc2)CC1
InChIInChI=1S/C22H34N2O4S/c1-16(2)29(27,28)15-18-10-12-24(13-11-18)20(25)14-17-6-8-19(9-7-17)21(26)23-22(3,4)5/h6-9,16,18H,10-15H2,1-5H3,(H,23,26)
InChIKeyZMDLPFUWQHSPHI-UHFFFAOYSA-N
XLogP2.82
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.59
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[2-[cyclohexyl(methyl)sulfamoyl]ethyl]benzamide
CID 7423200
N-({1-[3-(methylthio)propanoyl]piperidin-3-yl}methyl)biphenyl-4-carboxamide
CID 16191809
N-(1-([1,1'-Biphenyl]-4-yl)ethyl)-4-((methylsulfonyl)methyl)benzamide
CID 16284554
N-[2-[(2-methylcyclohexyl)sulfamoyl]ethyl]benzamide
CID 16800150
N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-((4-methylpiperidin-1-yl)sulfonyl)benzamide
CID 18573634
N-benzyl-4-(methylsulfonylmethyl)-N-(2-phenylethyl)benzamide
CID 24237830
N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 25163803
N-[(2R)-1-(cyanomethylamino)-3-(2-methylpropylsulfonyl)-1-oxopropan-2-yl]benzamide
CID 60148518
N-[1-(cyanomethylamino)-3-(2-methylpropylsulfonyl)-1-oxopropan-2-yl]benzamide
CID 60166364

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]benzamide?
The IUPAC name of N-tert-butyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]benzamide (CID 58144334) is N-tert-butyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for N-tert-butyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]benzamide?
The canonical SMILES for N-tert-butyl-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)NC(C)(C)C)cc2)CC1.
What is the InChIKey of N-tert-butyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]benzamide?
The InChIKey is ZMDLPFUWQHSPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4S/c1-16(2)29(27,28)15-18-10-12-24(13-11-18)20(25)14-17-6-8-19(9-7-17)21(26)23-22(3,4)5/h6-9,16,18H,10-15H2,1-5H3,(H,23,26).
What are the key properties of N-tert-butyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]benzamide?
N-tert-butyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]benzamide has a molecular weight of 422.59 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 58144334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).