N-(oxan-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]propanamide

C23H34N2O4S — CID 91906137

IUPACN-(oxan-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C23H34N2O4S/c1-2-23(26)25(21-11-15-29-16-12-21)20-9-13-24(14-10-20)30(27,28)22-8-7-18-5-3-4-6-19(18)17-22/h7-8,17,20-21H,2-6,9-16H2,1H3
InChIKeyDRERCICZWGZLAT-UHFFFAOYSA-N
MW434.60 g/mol
LogP3.14
Rot. Bonds5

About N-(oxan-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]propanamide

N-(oxan-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]propanamide (PubChem CID 91906137) has the molecular formula C23H34N2O4S and a molecular weight of 434.60 g/mol. Its IUPAC name is N-(oxan-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]propanamide
PubChem CID91906137
Molecular FormulaC23H34N2O4S
Molecular Weight434.60 g/mol
Exact Mass434.22
IUPAC NameN-(oxan-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C23H34N2O4S/c1-2-23(26)25(21-11-15-29-16-12-21)20-9-13-24(14-10-20)30(27,28)22-8-7-18-5-3-4-6-19(18)17-22/h7-8,17,20-21H,2-6,9-16H2,1H3
InChIKeyDRERCICZWGZLAT-UHFFFAOYSA-N
XLogP3.14
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.60
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(oxan-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(oxan-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]propanamide (CID 91906137) is N-(oxan-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(oxan-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(oxan-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]propanamide is CCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1.
What is the InChIKey of N-(oxan-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]propanamide?
The InChIKey is DRERCICZWGZLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O4S/c1-2-23(26)25(21-11-15-29-16-12-21)20-9-13-24(14-10-20)30(27,28)22-8-7-18-5-3-4-6-19(18)17-22/h7-8,17,20-21H,2-6,9-16H2,1H3.
What are the key properties of N-(oxan-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]propanamide?
N-(oxan-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]propanamide has a molecular weight of 434.60 g/mol, XLogP of 3.14, 5 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-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 91906137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).