N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-3-ylacetamide

C19H24N2O4S2 — CID 4816931

IUPACN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-3-ylacetamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1ccsc1
InChIInChI=1S/C19H24N2O4S2/c1-2-25-18-7-6-16(27(23,24)21-9-4-3-5-10-21)13-17(18)20-19(22)12-15-8-11-26-14-15/h6-8,11,13-14H,2-5,9-10,12H2,1H3,(H,20,22)
InChIKeyWTSOSKLUPCWQID-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.50
Rot. Bonds7

About N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-3-ylacetamide

N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-3-ylacetamide (PubChem CID 4816931) has the molecular formula C19H24N2O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-3-ylacetamide
PubChem CID4816931
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC NameN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-3-ylacetamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1ccsc1
InChIInChI=1S/C19H24N2O4S2/c1-2-25-18-7-6-16(27(23,24)21-9-4-3-5-10-21)13-17(18)20-19(22)12-15-8-11-26-14-15/h6-8,11,13-14H,2-5,9-10,12H2,1H3,(H,20,22)
InChIKeyWTSOSKLUPCWQID-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-3-ylacetamide (CID 4816931) is N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-3-ylacetamide is CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1ccsc1.
What is the InChIKey of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-3-ylacetamide?
The InChIKey is WTSOSKLUPCWQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c1-2-25-18-7-6-16(27(23,24)21-9-4-3-5-10-21)13-17(18)20-19(22)12-15-8-11-26-14-15/h6-8,11,13-14H,2-5,9-10,12H2,1H3,(H,20,22).
What are the key properties of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-3-ylacetamide?
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-3-ylacetamide has a molecular weight of 408.55 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 4816931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).