2-ethylsulfinyl-N-(1-ethylsulfonylpiperidin-4-yl)benzamide

C16H24N2O4S2 — CID 42883511

IUPAC2-ethylsulfinyl-N-(1-ethylsulfonylpiperidin-4-yl)benzamide
SMILESCCS(=O)c1ccccc1C(=O)NC1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C16H24N2O4S2/c1-3-23(20)15-8-6-5-7-14(15)16(19)17-13-9-11-18(12-10-13)24(21,22)4-2/h5-8,13H,3-4,9-12H2,1-2H3,(H,17,19)
InChIKeyCCDQJGXJPDLGQE-UHFFFAOYSA-N
MW372.51 g/mol
LogP1.36
Rot. Bonds6

About 2-ethylsulfinyl-N-(1-ethylsulfonylpiperidin-4-yl)benzamide

2-ethylsulfinyl-N-(1-ethylsulfonylpiperidin-4-yl)benzamide (PubChem CID 42883511) has the molecular formula C16H24N2O4S2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-ethylsulfinyl-N-(1-ethylsulfonylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-ethylsulfinyl-N-(1-ethylsulfonylpiperidin-4-yl)benzamide
PubChem CID42883511
Molecular FormulaC16H24N2O4S2
Molecular Weight372.51 g/mol
Exact Mass372.12
IUPAC Name2-ethylsulfinyl-N-(1-ethylsulfonylpiperidin-4-yl)benzamide
SMILESCCS(=O)c1ccccc1C(=O)NC1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C16H24N2O4S2/c1-3-23(20)15-8-6-5-7-14(15)16(19)17-13-9-11-18(12-10-13)24(21,22)4-2/h5-8,13H,3-4,9-12H2,1-2H3,(H,17,19)
InChIKeyCCDQJGXJPDLGQE-UHFFFAOYSA-N
XLogP1.36
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylsulfonylpiperidin-4-yl)thiophene-2-carboxamide
CID 47150062
N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 47021102
N-(1-ethylsulfonylpiperidin-4-yl)-3-fluorobenzamide
CID 110823002
6-chloro-N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-3-carboxamide
CID 61249649
2,3-dimethoxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 46464711
2-(methylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 61378831
1-benzyl-3-(1-ethylsulfonylpiperidin-4-yl)urea
CID 32525222
2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-2-phenylacetamide
CID 119278332
N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-4-carboxamide
CID 127667132
N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 33220250
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-ethylsulfinylbenzoate
CID 55490539
6-bromo-N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 103916664

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinyl-N-(1-ethylsulfonylpiperidin-4-yl)benzamide?
The IUPAC name of 2-ethylsulfinyl-N-(1-ethylsulfonylpiperidin-4-yl)benzamide (CID 42883511) is 2-ethylsulfinyl-N-(1-ethylsulfonylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-ethylsulfinyl-N-(1-ethylsulfonylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-ethylsulfinyl-N-(1-ethylsulfonylpiperidin-4-yl)benzamide is CCS(=O)c1ccccc1C(=O)NC1CCN(S(=O)(=O)CC)CC1.
What is the InChIKey of 2-ethylsulfinyl-N-(1-ethylsulfonylpiperidin-4-yl)benzamide?
The InChIKey is CCDQJGXJPDLGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S2/c1-3-23(20)15-8-6-5-7-14(15)16(19)17-13-9-11-18(12-10-13)24(21,22)4-2/h5-8,13H,3-4,9-12H2,1-2H3,(H,17,19).
What are the key properties of 2-ethylsulfinyl-N-(1-ethylsulfonylpiperidin-4-yl)benzamide?
2-ethylsulfinyl-N-(1-ethylsulfonylpiperidin-4-yl)benzamide has a molecular weight of 372.51 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinyl-N-(1-ethylsulfonylpiperidin-4-yl)benzamide is sourced from PubChem (CID 42883511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).