N-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]thiophene-2-sulfonamide

C18H22N2O4S2 — CID 2355897

IUPACN-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]thiophene-2-sulfonamide
SMILESCN(c1ccc(OCC(=O)N2CCCCC2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C18H22N2O4S2/c1-19(26(22,23)18-6-5-13-25-18)15-7-9-16(10-8-15)24-14-17(21)20-11-3-2-4-12-20/h5-10,13H,2-4,11-12,14H2,1H3
InChIKeyKHOZSGDSNJSHJF-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.96
Rot. Bonds6

About N-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]thiophene-2-sulfonamide

N-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]thiophene-2-sulfonamide (PubChem CID 2355897) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]thiophene-2-sulfonamide
PubChem CID2355897
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC NameN-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]thiophene-2-sulfonamide
SMILESCN(c1ccc(OCC(=O)N2CCCCC2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C18H22N2O4S2/c1-19(26(22,23)18-6-5-13-25-18)15-7-9-16(10-8-15)24-14-17(21)20-11-3-2-4-12-20/h5-10,13H,2-4,11-12,14H2,1H3
InChIKeyKHOZSGDSNJSHJF-UHFFFAOYSA-N
XLogP2.96
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]thiophene-2-sulfonamide (CID 2355897) is N-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]thiophene-2-sulfonamide is CN(c1ccc(OCC(=O)N2CCCCC2)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]thiophene-2-sulfonamide?
The InChIKey is KHOZSGDSNJSHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-19(26(22,23)18-6-5-13-25-18)15-7-9-16(10-8-15)24-14-17(21)20-11-3-2-4-12-20/h5-10,13H,2-4,11-12,14H2,1H3.
What are the key properties of N-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]thiophene-2-sulfonamide?
N-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]thiophene-2-sulfonamide has a molecular weight of 394.52 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2355897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).