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

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Related Compounds

(2S)-2-amino-4-[(4-phenoxyphenyl)carbamoyl]butane-1-sulfonic acid
CID 24901639
N-[4-(benzyloxy)phenyl]-4-(dimethylamino)butanamide
CID 24901610
N-(4-ethoxyphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 893606
2-[(4-Ethoxy-phenyl)-methanesulfonyl-amino]-N-m-tolyl-acetamide
CID 1106302
N-(4-methoxyphenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 2988836
N-(2-ethoxyphenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 2991696
2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-ethoxyphenyl)acetamide
CID 4620189
N-(4-ethoxyphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide
CID 4983381
N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 574473
N-(4-ethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810603
N-(4-Ethoxyphenyl)-3-[4-(4-methoxybenzenesulfonyl)piperazin-1-YL]propanamide
CID 9550798
N-(3-((4-ethoxyphenyl)amino)-3-oxopropyl)-1-(phenylsulfonyl)piperidine-4-carboxamide
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).