2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butan-2-ylbenzamide

C22H29N3O3S — CID 42848513

IUPAC2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butan-2-ylbenzamide
SMILESCCC(C)NC(=O)c1ccccc1N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H29N3O3S/c1-3-17(2)23-22(26)20-11-7-8-12-21(20)25-15-13-18(14-16-25)24-29(27,28)19-9-5-4-6-10-19/h4-12,17-18,24H,3,13-16H2,1-2H3,(H,23,26)
InChIKeyYOJBUBSQGMZJJL-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.16
Rot. Bonds7

About 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butan-2-ylbenzamide

2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butan-2-ylbenzamide (PubChem CID 42848513) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butan-2-ylbenzamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butan-2-ylbenzamide
PubChem CID42848513
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butan-2-ylbenzamide
SMILESCCC(C)NC(=O)c1ccccc1N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H29N3O3S/c1-3-17(2)23-22(26)20-11-7-8-12-21(20)25-15-13-18(14-16-25)24-29(27,28)19-9-5-4-6-10-19/h4-12,17-18,24H,3,13-16H2,1-2H3,(H,23,26)
InChIKeyYOJBUBSQGMZJJL-UHFFFAOYSA-N
XLogP3.16
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide
CID 46037432
N-butan-2-yl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848022
N-butan-2-yl-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide
CID 42848447
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 42848524
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 46038691
2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 93291002
N-benzyl-N-ethyl-2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]benzamide
CID 46038773
2-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-N-(pyridin-4-ylmethyl)benzamide
CID 46038683
N-(3-methylbutyl)-2-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]benzamide
CID 46038716
2-(4-benzamidopiperidin-1-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 93290973
N-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide
CID 33295550
N-[1-(2-nitrophenyl)piperidin-4-yl]benzenesulfonamide
CID 26031512

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butan-2-ylbenzamide?
The IUPAC name of 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butan-2-ylbenzamide (CID 42848513) is 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butan-2-ylbenzamide.
What is the SMILES notation for 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butan-2-ylbenzamide?
The canonical SMILES for 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butan-2-ylbenzamide is CCC(C)NC(=O)c1ccccc1N1CCC(NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butan-2-ylbenzamide?
The InChIKey is YOJBUBSQGMZJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-3-17(2)23-22(26)20-11-7-8-12-21(20)25-15-13-18(14-16-25)24-29(27,28)19-9-5-4-6-10-19/h4-12,17-18,24H,3,13-16H2,1-2H3,(H,23,26).
What are the key properties of 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butan-2-ylbenzamide?
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butan-2-ylbenzamide has a molecular weight of 415.56 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butan-2-ylbenzamide is sourced from PubChem (CID 42848513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).