[3-[4-[(4-ethylphenyl)sulfonylamino]piperidine-1-carbonyl]phenyl] acetate

C22H26N2O5S — CID 108563317

IUPAC[3-[4-[(4-ethylphenyl)sulfonylamino]piperidine-1-carbonyl]phenyl] acetate
SMILESCCc1ccc(S(=O)(=O)NC2CCN(C(=O)c3cccc(OC(C)=O)c3)CC2)cc1
InChIInChI=1S/C22H26N2O5S/c1-3-17-7-9-21(10-8-17)30(27,28)23-19-11-13-24(14-12-19)22(26)18-5-4-6-20(15-18)29-16(2)25/h4-10,15,19,23H,3,11-14H2,1-2H3
InChIKeyRXKSRZQLBSLGPO-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.76
Rot. Bonds6

About [3-[4-[(4-ethylphenyl)sulfonylamino]piperidine-1-carbonyl]phenyl] acetate

[3-[4-[(4-ethylphenyl)sulfonylamino]piperidine-1-carbonyl]phenyl] acetate (PubChem CID 108563317) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is [3-[4-[(4-ethylphenyl)sulfonylamino]piperidine-1-carbonyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[4-[(4-ethylphenyl)sulfonylamino]piperidine-1-carbonyl]phenyl] acetate
PubChem CID108563317
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC Name[3-[4-[(4-ethylphenyl)sulfonylamino]piperidine-1-carbonyl]phenyl] acetate
SMILESCCc1ccc(S(=O)(=O)NC2CCN(C(=O)c3cccc(OC(C)=O)c3)CC2)cc1
InChIInChI=1S/C22H26N2O5S/c1-3-17-7-9-21(10-8-17)30(27,28)23-19-11-13-24(14-12-19)22(26)18-5-4-6-20(15-18)29-16(2)25/h4-10,15,19,23H,3,11-14H2,1-2H3
InChIKeyRXKSRZQLBSLGPO-UHFFFAOYSA-N
XLogP2.76
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-4-ethylbenzenesulfonamide
CID 108565613
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-ethylbenzenesulfonamide
CID 108567057
N-[1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidin-4-yl]benzenesulfonamide
CID 30797122
N-cyclopropyl-4-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 37435447
[3-[4-(2-methylprop-2-enoylamino)piperidine-1-carbonyl]phenyl] acetate
CID 108927552
4-ethyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 108567273
4-ethyl-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563623
4-ethyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzenesulfonamide
CID 108565892
[3-[4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate
CID 108553048
[3-[4-(cyclopentanecarbonylamino)piperidine-1-carbonyl]phenyl] acetate
CID 108927512
N-[2-[4-[(4-ethylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 108564014
ethyl 1-(3-acetyloxybenzoyl)piperidine-4-carboxylate
CID 6457246

Frequently Asked Questions

What is the IUPAC name of [3-[4-[(4-ethylphenyl)sulfonylamino]piperidine-1-carbonyl]phenyl] acetate?
The IUPAC name of [3-[4-[(4-ethylphenyl)sulfonylamino]piperidine-1-carbonyl]phenyl] acetate (CID 108563317) is [3-[4-[(4-ethylphenyl)sulfonylamino]piperidine-1-carbonyl]phenyl] acetate.
What is the SMILES notation for [3-[4-[(4-ethylphenyl)sulfonylamino]piperidine-1-carbonyl]phenyl] acetate?
The canonical SMILES for [3-[4-[(4-ethylphenyl)sulfonylamino]piperidine-1-carbonyl]phenyl] acetate is CCc1ccc(S(=O)(=O)NC2CCN(C(=O)c3cccc(OC(C)=O)c3)CC2)cc1.
What is the InChIKey of [3-[4-[(4-ethylphenyl)sulfonylamino]piperidine-1-carbonyl]phenyl] acetate?
The InChIKey is RXKSRZQLBSLGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-3-17-7-9-21(10-8-17)30(27,28)23-19-11-13-24(14-12-19)22(26)18-5-4-6-20(15-18)29-16(2)25/h4-10,15,19,23H,3,11-14H2,1-2H3.
What are the key properties of [3-[4-[(4-ethylphenyl)sulfonylamino]piperidine-1-carbonyl]phenyl] acetate?
[3-[4-[(4-ethylphenyl)sulfonylamino]piperidine-1-carbonyl]phenyl] acetate has a molecular weight of 430.53 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[(4-ethylphenyl)sulfonylamino]piperidine-1-carbonyl]phenyl] acetate is sourced from PubChem (CID 108563317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).