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

C22H34N2O4S — CID 91906135

IUPACN-(oxan-4-yl)-N-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]propanamide
SMILESCCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C22H34N2O4S/c1-4-22(25)24(20-11-15-28-16-12-20)19-9-13-23(14-10-19)29(26,27)21-7-5-18(6-8-21)17(2)3/h5-8,17,19-20H,4,9-16H2,1-3H3
InChIKeyDCYRAPIPTBCBLI-UHFFFAOYSA-N
MW422.59 g/mol
LogP3.38
Rot. Bonds6

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

N-(oxan-4-yl)-N-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]propanamide (PubChem CID 91906135) has the molecular formula C22H34N2O4S and a molecular weight of 422.59 g/mol. Its IUPAC name is N-(oxan-4-yl)-N-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-N-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]propanamide
PubChem CID91906135
Molecular FormulaC22H34N2O4S
Molecular Weight422.59 g/mol
Exact Mass422.22
IUPAC NameN-(oxan-4-yl)-N-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]propanamide
SMILESCCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C22H34N2O4S/c1-4-22(25)24(20-11-15-28-16-12-20)19-9-13-23(14-10-19)29(26,27)21-7-5-18(6-8-21)17(2)3/h5-8,17,19-20H,4,9-16H2,1-3H3
InChIKeyDCYRAPIPTBCBLI-UHFFFAOYSA-N
XLogP3.38
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.59
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-N-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]propanamide?
The IUPAC name of N-(oxan-4-yl)-N-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]propanamide (CID 91906135) is N-(oxan-4-yl)-N-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]propanamide.
What is the SMILES notation for N-(oxan-4-yl)-N-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]propanamide?
The canonical SMILES for N-(oxan-4-yl)-N-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]propanamide is CCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1.
What is the InChIKey of N-(oxan-4-yl)-N-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]propanamide?
The InChIKey is DCYRAPIPTBCBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4S/c1-4-22(25)24(20-11-15-28-16-12-20)19-9-13-23(14-10-19)29(26,27)21-7-5-18(6-8-21)17(2)3/h5-8,17,19-20H,4,9-16H2,1-3H3.
What are the key properties of N-(oxan-4-yl)-N-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]propanamide?
N-(oxan-4-yl)-N-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]propanamide has a molecular weight of 422.59 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-N-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]propanamide is sourced from PubChem (CID 91906135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).