N-(1-methylsulfonylpiperidin-3-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

C20H28N2O4S — CID 47909713

IUPACN-(1-methylsulfonylpiperidin-3-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)C1
InChIInChI=1S/C20H28N2O4S/c1-27(25,26)22-12-4-7-18(14-22)21-20(24)11-10-19(23)17-9-8-15-5-2-3-6-16(15)13-17/h8-9,13,18H,2-7,10-12,14H2,1H3,(H,21,24)
InChIKeyGSLFFZKXFKGJHX-UHFFFAOYSA-N
MW392.52 g/mol
LogP2.07
Rot. Bonds6

About N-(1-methylsulfonylpiperidin-3-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

N-(1-methylsulfonylpiperidin-3-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide (PubChem CID 47909713) has the molecular formula C20H28N2O4S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-(1-methylsulfonylpiperidin-3-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpiperidin-3-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
PubChem CID47909713
Molecular FormulaC20H28N2O4S
Molecular Weight392.52 g/mol
Exact Mass392.18
IUPAC NameN-(1-methylsulfonylpiperidin-3-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)C1
InChIInChI=1S/C20H28N2O4S/c1-27(25,26)22-12-4-7-18(14-22)21-20(24)11-10-19(23)17-9-8-15-5-2-3-6-16(15)13-17/h8-9,13,18H,2-7,10-12,14H2,1H3,(H,21,24)
InChIKeyGSLFFZKXFKGJHX-UHFFFAOYSA-N
XLogP2.07
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpiperidin-3-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The IUPAC name of N-(1-methylsulfonylpiperidin-3-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide (CID 47909713) is N-(1-methylsulfonylpiperidin-3-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide.
What is the SMILES notation for N-(1-methylsulfonylpiperidin-3-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The canonical SMILES for N-(1-methylsulfonylpiperidin-3-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide is CS(=O)(=O)N1CCCC(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)C1.
What is the InChIKey of N-(1-methylsulfonylpiperidin-3-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The InChIKey is GSLFFZKXFKGJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4S/c1-27(25,26)22-12-4-7-18(14-22)21-20(24)11-10-19(23)17-9-8-15-5-2-3-6-16(15)13-17/h8-9,13,18H,2-7,10-12,14H2,1H3,(H,21,24).
What are the key properties of N-(1-methylsulfonylpiperidin-3-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
N-(1-methylsulfonylpiperidin-3-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide has a molecular weight of 392.52 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpiperidin-3-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide is sourced from PubChem (CID 47909713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).