N-[1-(2-ethylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide

C21H32N2O4S — CID 91906107

IUPACN-[1-(2-ethylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide
SMILESCCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2ccccc2CC)CC1
InChIInChI=1S/C21H32N2O4S/c1-3-17-7-5-6-8-20(17)28(25,26)22-13-9-18(10-14-22)23(21(24)4-2)19-11-15-27-16-12-19/h5-8,18-19H,3-4,9-16H2,1-2H3
InChIKeyIYXAPGCNORFGCW-UHFFFAOYSA-N
MW408.56 g/mol
LogP2.82
Rot. Bonds6

About N-[1-(2-ethylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide

N-[1-(2-ethylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide (PubChem CID 91906107) has the molecular formula C21H32N2O4S and a molecular weight of 408.56 g/mol. Its IUPAC name is N-[1-(2-ethylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2-ethylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide
PubChem CID91906107
Molecular FormulaC21H32N2O4S
Molecular Weight408.56 g/mol
Exact Mass408.21
IUPAC NameN-[1-(2-ethylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide
SMILESCCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2ccccc2CC)CC1
InChIInChI=1S/C21H32N2O4S/c1-3-17-7-5-6-8-20(17)28(25,26)22-13-9-18(10-14-22)23(21(24)4-2)19-11-15-27-16-12-19/h5-8,18-19H,3-4,9-16H2,1-2H3
InChIKeyIYXAPGCNORFGCW-UHFFFAOYSA-N
XLogP2.82
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.56
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-Fluorobenzenesulfonyl)piperidin-4-YL]-N-(oxan-4-YL)propanamide
CID 91906122
N-[1-(2-Fluorobenzenesulfonyl)piperidin-4-YL]-N-(oxan-4-YL)propanamide
CID 91906124
N-[1-(4-Fluoro-3-methylbenzenesulfonyl)piperidin-4-YL]-N-(oxan-4-YL)propanamide
CID 91906125
N-[1-(2,4-Difluorobenzenesulfonyl)piperidin-4-YL]-N-(oxan-4-YL)propanamide
CID 91906127
N-[1-(3,5-Difluorobenzenesulfonyl)piperidin-4-YL]-N-(oxan-4-YL)propanamide
CID 91906131
N-[1-(5-Fluoro-2-methylbenzenesulfonyl)piperidin-4-YL]-N-(oxan-4-YL)propanamide
CID 91906132
N-(Oxan-4-YL)-N-{1-[4-(trifluoromethyl)benzenesulfonyl]piperidin-4-YL}propanamide
CID 91906133
N-[1-(3,4-Difluorobenzenesulfonyl)piperidin-4-YL]-N-(oxan-4-YL)propanamide
CID 91906141
1-[1-(5-Fluoro-2-methylbenzenesulfonyl)piperidin-4-YL]-1-(oxan-4-YL)-3-propylurea
CID 91906186
N-[1-(5-Fluoro-2-methylbenzenesulfonyl)piperidin-4-YL]-N-(oxan-4-YL)acetamide
CID 91906212
N-[1-(3,4-Difluorobenzenesulfonyl)piperidin-4-YL]-N-(oxan-4-YL)acetamide
CID 124072195
N-[1-(3-Methylbenzenesulfonyl)piperidin-4-YL]-N-(oxan-4-YL)propanamide
CID 91906109

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide?
The IUPAC name of N-[1-(2-ethylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide (CID 91906107) is N-[1-(2-ethylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide.
What is the SMILES notation for N-[1-(2-ethylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide?
The canonical SMILES for N-[1-(2-ethylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide is CCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2ccccc2CC)CC1.
What is the InChIKey of N-[1-(2-ethylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide?
The InChIKey is IYXAPGCNORFGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4S/c1-3-17-7-5-6-8-20(17)28(25,26)22-13-9-18(10-14-22)23(21(24)4-2)19-11-15-27-16-12-19/h5-8,18-19H,3-4,9-16H2,1-2H3.
What are the key properties of N-[1-(2-ethylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide?
N-[1-(2-ethylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide has a molecular weight of 408.56 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide is sourced from PubChem (CID 91906107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).