N-(4-ethoxyphenyl)-1-ethylsulfonylpiperidine-4-carboxamide

C16H24N2O4S — CID 2953626

IUPACN-(4-ethoxyphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCN(S(=O)(=O)CC)CC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-3-22-15-7-5-14(6-8-15)17-16(19)13-9-11-18(12-10-13)23(20,21)4-2/h5-8,13H,3-4,9-12H2,1-2H3,(H,17,19)
InChIKeySIQQJLALWDRDKS-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.09
Rot. Bonds6

About N-(4-ethoxyphenyl)-1-ethylsulfonylpiperidine-4-carboxamide

N-(4-ethoxyphenyl)-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 2953626) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID2953626
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-(4-ethoxyphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCN(S(=O)(=O)CC)CC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-3-22-15-7-5-14(6-8-15)17-16(19)13-9-11-18(12-10-13)23(20,21)4-2/h5-8,13H,3-4,9-12H2,1-2H3,(H,17,19)
InChIKeySIQQJLALWDRDKS-UHFFFAOYSA-N
XLogP2.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-ethoxyphenyl)-1-ethylsulfonylpiperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

CID 24901639
CID 24901639
CID 24901610
CID 24901610
CID 893606
CID 893606
CID 1106302
CID 1106302
CID 2988836
CID 2988836
CID 2991696
CID 2991696
CID 4620189
CID 4620189
CID 4983381
CID 4983381
CID 574473
CID 574473
CID 4810603
CID 4810603
CID 9550798
CID 9550798
CID 17585954
CID 17585954

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-ethylsulfonylpiperidine-4-carboxamide (CID 2953626) is N-(4-ethoxyphenyl)-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-ethylsulfonylpiperidine-4-carboxamide is CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)CC)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is SIQQJLALWDRDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-3-22-15-7-5-14(6-8-15)17-16(19)13-9-11-18(12-10-13)23(20,21)4-2/h5-8,13H,3-4,9-12H2,1-2H3,(H,17,19).
What are the key properties of N-(4-ethoxyphenyl)-1-ethylsulfonylpiperidine-4-carboxamide?
N-(4-ethoxyphenyl)-1-ethylsulfonylpiperidine-4-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2953626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).