4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-N,N-di(propan-2-yl)benzamide

C25H40N2O4S — CID 58144605

IUPAC4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc1)C(C)C
InChIInChI=1S/C25H40N2O4S/c1-18(2)27(19(3)4)24(29)22-10-8-20(9-11-22)16-23(28)26-14-12-21(13-15-26)17-32(30,31)25(5,6)7/h8-11,18-19,21H,12-17H2,1-7H3
InChIKeyOSXMDIKKDKWVOG-UHFFFAOYSA-N
MW464.67 g/mol
LogP3.94
Rot. Bonds7

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

4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-N,N-di(propan-2-yl)benzamide (PubChem CID 58144605) has the molecular formula C25H40N2O4S and a molecular weight of 464.67 g/mol. Its IUPAC name is 4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-N,N-di(propan-2-yl)benzamide
PubChem CID58144605
Molecular FormulaC25H40N2O4S
Molecular Weight464.67 g/mol
Exact Mass464.27
IUPAC Name4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc1)C(C)C
InChIInChI=1S/C25H40N2O4S/c1-18(2)27(19(3)4)24(29)22-10-8-20(9-11-22)16-23(28)26-14-12-21(13-15-26)17-32(30,31)25(5,6)7/h8-11,18-19,21H,12-17H2,1-7H3
InChIKeyOSXMDIKKDKWVOG-UHFFFAOYSA-N
XLogP3.94
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.67
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-phenylphenyl)ethanone
CID 58143733
1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(2,3-dimethylcyclopentyl)oxyphenyl]ethanone
CID 58144780
1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(1,3-oxazol-5-yl)phenyl]ethanone
CID 58145717
2-(1-benzothiophen-6-yl)-1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]ethanone
CID 58144680
4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-3-methyl-N-propan-2-ylbenzamide
CID 58144586
1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(7-methyl-1,3-benzodioxol-5-yl)ethanone
CID 58144932
2-(4-propan-2-ylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone
CID 58145380
2-[4-(aminomethyl)phenyl]-1-(4-ethylpiperidin-1-yl)ethanone
CID 63591376
1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-morpholin-4-ylphenyl)ethanone
CID 58144710
3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide
CID 58145054
6-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-8-ethylchromen-2-one
CID 58143753
2-(4-chlorophenyl)-1-[4-(methylsulfonylmethyl)piperidin-1-yl]ethanone
CID 110736048

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-N,N-di(propan-2-yl)benzamide (CID 58144605) is 4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-N,N-di(propan-2-yl)benzamide is CC(C)N(C(=O)c1ccc(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc1)C(C)C.
What is the InChIKey of 4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-N,N-di(propan-2-yl)benzamide?
The InChIKey is OSXMDIKKDKWVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N2O4S/c1-18(2)27(19(3)4)24(29)22-10-8-20(9-11-22)16-23(28)26-14-12-21(13-15-26)17-32(30,31)25(5,6)7/h8-11,18-19,21H,12-17H2,1-7H3.
What are the key properties of 4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-N,N-di(propan-2-yl)benzamide?
4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-N,N-di(propan-2-yl)benzamide has a molecular weight of 464.67 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 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,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 58144605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).