3-(4-ethoxypiperidine-1-carbonyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

C19H24N2O4S2 — CID 60551524

IUPAC3-(4-ethoxypiperidine-1-carbonyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCOC1CCN(C(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)CC1
InChIInChI=1S/C19H24N2O4S2/c1-2-25-16-8-10-21(11-9-16)19(22)15-5-3-7-18(13-15)27(23,24)20-14-17-6-4-12-26-17/h3-7,12-13,16,20H,2,8-11,14H2,1H3
InChIKeyHNLNEYNRIFVUCQ-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.87
Rot. Bonds7

About 3-(4-ethoxypiperidine-1-carbonyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

3-(4-ethoxypiperidine-1-carbonyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 60551524) has the molecular formula C19H24N2O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 3-(4-ethoxypiperidine-1-carbonyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(4-ethoxypiperidine-1-carbonyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID60551524
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC Name3-(4-ethoxypiperidine-1-carbonyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCOC1CCN(C(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)CC1
InChIInChI=1S/C19H24N2O4S2/c1-2-25-16-8-10-21(11-9-16)19(22)15-5-3-7-18(13-15)27(23,24)20-14-17-6-4-12-26-17/h3-7,12-13,16,20H,2,8-11,14H2,1H3
InChIKeyHNLNEYNRIFVUCQ-UHFFFAOYSA-N
XLogP2.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 119538468
1-[3-(thiophen-2-ylmethylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119354635
3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 38491610
3-[4-(2-methyl-1H-indol-3-yl)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 60552358
3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 60525989
3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 27621480
N-(cyclopropylmethyl)-3-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119563230
3-(4-aminopiperidine-1-carbonyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 119376148
3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 31669952
N-ethyl-N-methyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 134063264
1-[4-(thiophen-2-ylmethylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119354937
N-[4-(4-methylpiperidin-1-yl)butyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 55716578

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxypiperidine-1-carbonyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-(4-ethoxypiperidine-1-carbonyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 60551524) is 3-(4-ethoxypiperidine-1-carbonyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-(4-ethoxypiperidine-1-carbonyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-(4-ethoxypiperidine-1-carbonyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is CCOC1CCN(C(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)CC1.
What is the InChIKey of 3-(4-ethoxypiperidine-1-carbonyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is HNLNEYNRIFVUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c1-2-25-16-8-10-21(11-9-16)19(22)15-5-3-7-18(13-15)27(23,24)20-14-17-6-4-12-26-17/h3-7,12-13,16,20H,2,8-11,14H2,1H3.
What are the key properties of 3-(4-ethoxypiperidine-1-carbonyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
3-(4-ethoxypiperidine-1-carbonyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 408.55 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxypiperidine-1-carbonyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 60551524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).