N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide

C23H30N2O4S — CID 108565261

IUPACN-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C23H30N2O4S/c1-17(2)19-9-11-21(12-10-19)29-18(3)23(26)25-15-13-20(14-16-25)24-30(27,28)22-7-5-4-6-8-22/h4-12,17-18,20,24H,13-16H2,1-3H3
InChIKeyDXFPDNRYERJCKS-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.55
Rot. Bonds7

About N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide

N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 108565261) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
PubChem CID108565261
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC NameN-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C23H30N2O4S/c1-17(2)19-9-11-21(12-10-19)29-18(3)23(26)25-15-13-20(14-16-25)24-30(27,28)22-7-5-4-6-8-22/h4-12,17-18,20,24H,13-16H2,1-3H3
InChIKeyDXFPDNRYERJCKS-UHFFFAOYSA-N
XLogP3.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
CID 55504753
4-methoxy-N-[1-(2-phenoxypropanoyl)piperidin-4-yl]benzenesulfonamide
CID 50823767
N-[1-[2-(2,3-dichlorophenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
CID 55690364
N-[1-[2-(3,4-dichlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 55850395
N-cyclohexyl-4-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]oxybenzenesulfonamide
CID 92513123
2-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 108557669
4-fluoro-N-[1-[2-(2-methyl-5-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
CID 60511292
3,3-dimethyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide
CID 108565276
3-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide
CID 108549550
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108565214
1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one;hydrochloride
CID 119563868
(2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 95358331

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide (CID 108565261) is N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide is CC(Oc1ccc(C(C)C)cc1)C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is DXFPDNRYERJCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-17(2)19-9-11-21(12-10-19)29-18(3)23(26)25-15-13-20(14-16-25)24-30(27,28)22-7-5-4-6-8-22/h4-12,17-18,20,24H,13-16H2,1-3H3.
What are the key properties of N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide?
N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 430.57 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 108565261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).