N-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-N-(oxan-4-yl)propanamide

C22H32N2O4S — CID 91906120

IUPACN-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-N-(oxan-4-yl)propanamide
SMILESCCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C22H32N2O4S/c1-2-22(25)24(20-10-14-28-15-11-20)19-8-12-23(13-9-19)29(26,27)21-7-6-17-4-3-5-18(17)16-21/h6-7,16,19-20H,2-5,8-15H2,1H3
InChIKeyUSQFNZSPJQEYAK-UHFFFAOYSA-N
MW420.58 g/mol
LogP2.75
Rot. Bonds5

About N-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-N-(oxan-4-yl)propanamide

N-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-N-(oxan-4-yl)propanamide (PubChem CID 91906120) has the molecular formula C22H32N2O4S and a molecular weight of 420.58 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-N-(oxan-4-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-N-(oxan-4-yl)propanamide
PubChem CID91906120
Molecular FormulaC22H32N2O4S
Molecular Weight420.58 g/mol
Exact Mass420.21
IUPAC NameN-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-N-(oxan-4-yl)propanamide
SMILESCCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C22H32N2O4S/c1-2-22(25)24(20-10-14-28-15-11-20)19-8-12-23(13-9-19)29(26,27)21-7-6-17-4-3-5-18(17)16-21/h6-7,16,19-20H,2-5,8-15H2,1H3
InChIKeyUSQFNZSPJQEYAK-UHFFFAOYSA-N
XLogP2.75
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-N-(oxan-4-yl)propanamide?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-N-(oxan-4-yl)propanamide (CID 91906120) is N-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-N-(oxan-4-yl)propanamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-N-(oxan-4-yl)propanamide?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-N-(oxan-4-yl)propanamide is CCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-N-(oxan-4-yl)propanamide?
The InChIKey is USQFNZSPJQEYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4S/c1-2-22(25)24(20-10-14-28-15-11-20)19-8-12-23(13-9-19)29(26,27)21-7-6-17-4-3-5-18(17)16-21/h6-7,16,19-20H,2-5,8-15H2,1H3.
What are the key properties of N-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-N-(oxan-4-yl)propanamide?
N-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-N-(oxan-4-yl)propanamide has a molecular weight of 420.58 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-N-(oxan-4-yl)propanamide is sourced from PubChem (CID 91906120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).