N-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide

C20H30N2O4S — CID 91906109

IUPACN-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide
SMILESCCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C20H30N2O4S/c1-3-20(23)22(18-9-13-26-14-10-18)17-7-11-21(12-8-17)27(24,25)19-6-4-5-16(2)15-19/h4-6,15,17-18H,3,7-14H2,1-2H3
InChIKeyYXWISQSIZZRXAE-UHFFFAOYSA-N
MW394.54 g/mol
LogP2.57
Rot. Bonds5

About N-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide

N-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide (PubChem CID 91906109) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide.

Molecular Properties

Compound NameN-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide
PubChem CID91906109
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC NameN-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide
SMILESCCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C20H30N2O4S/c1-3-20(23)22(18-9-13-26-14-10-18)17-7-11-21(12-8-17)27(24,25)19-6-4-5-16(2)15-19/h4-6,15,17-18H,3,7-14H2,1-2H3
InChIKeyYXWISQSIZZRXAE-UHFFFAOYSA-N
XLogP2.57
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide?
The IUPAC name of N-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide (CID 91906109) is N-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide.
What is the SMILES notation for N-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide?
The canonical SMILES for N-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide is CCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2cccc(C)c2)CC1.
What is the InChIKey of N-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide?
The InChIKey is YXWISQSIZZRXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-3-20(23)22(18-9-13-26-14-10-18)17-7-11-21(12-8-17)27(24,25)19-6-4-5-16(2)15-19/h4-6,15,17-18H,3,7-14H2,1-2H3.
What are the key properties of N-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide?
N-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide has a molecular weight of 394.54 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide is sourced from PubChem (CID 91906109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).