N-[2-[4-[(4-ethylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide

C22H27N3O4S — CID 108564014

IUPACN-[2-[4-[(4-ethylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCCc1ccc(S(=O)(=O)NC2CCN(C(=O)CNC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C22H27N3O4S/c1-2-17-8-10-20(11-9-17)30(28,29)24-19-12-14-25(15-13-19)21(26)16-23-22(27)18-6-4-3-5-7-18/h3-11,19,24H,2,12-16H2,1H3,(H,23,27)
InChIKeyCSSNLWHMWYEQPB-UHFFFAOYSA-N
MW429.54 g/mol
LogP1.95
Rot. Bonds7

About N-[2-[4-[(4-ethylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide

N-[2-[4-[(4-ethylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 108564014) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is N-[2-[4-[(4-ethylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-[(4-ethylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID108564014
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC NameN-[2-[4-[(4-ethylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCCc1ccc(S(=O)(=O)NC2CCN(C(=O)CNC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C22H27N3O4S/c1-2-17-8-10-20(11-9-17)30(28,29)24-19-12-14-25(15-13-19)21(26)16-23-22(27)18-6-4-3-5-7-18/h3-11,19,24H,2,12-16H2,1H3,(H,23,27)
InChIKeyCSSNLWHMWYEQPB-UHFFFAOYSA-N
XLogP1.95
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 50823425
N-[2-[4-(butylsulfonylamino)piperidin-1-yl]-2-oxoethyl]benzamide
CID 108564016
4-ethyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzenesulfonamide
CID 108565892
4-ethyl-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108566980
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-4-ethylbenzenesulfonamide
CID 108565613
4-ethyl-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563623
4-ethyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 108567273
methyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
CID 110821590
N-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 110745924
ethyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
CID 47932223
N-[2-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 110743431

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-ethylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[4-[(4-ethylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide (CID 108564014) is N-[2-[4-[(4-ethylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[4-[(4-ethylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[4-[(4-ethylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide is CCc1ccc(S(=O)(=O)NC2CCN(C(=O)CNC(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-[4-[(4-ethylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is CSSNLWHMWYEQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-2-17-8-10-20(11-9-17)30(28,29)24-19-12-14-25(15-13-19)21(26)16-23-22(27)18-6-4-3-5-7-18/h3-11,19,24H,2,12-16H2,1H3,(H,23,27).
What are the key properties of N-[2-[4-[(4-ethylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide?
N-[2-[4-[(4-ethylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 429.54 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(4-ethylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 108564014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).