N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-thiophen-3-ylacetamide

C18H22N2O4S2 — CID 4805511

IUPACN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-thiophen-3-ylacetamide
SMILESCOc1ccc(NC(=O)Cc2ccsc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H22N2O4S2/c1-24-16-6-5-15(19-18(21)11-14-7-10-25-13-14)12-17(16)26(22,23)20-8-3-2-4-9-20/h5-7,10,12-13H,2-4,8-9,11H2,1H3,(H,19,21)
InChIKeySJBLDYATXCPVGG-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.11
Rot. Bonds6

About N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-thiophen-3-ylacetamide

N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-thiophen-3-ylacetamide (PubChem CID 4805511) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-thiophen-3-ylacetamide
PubChem CID4805511
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-thiophen-3-ylacetamide
SMILESCOc1ccc(NC(=O)Cc2ccsc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H22N2O4S2/c1-24-16-6-5-15(19-18(21)11-14-7-10-25-13-14)12-17(16)26(22,23)20-8-3-2-4-9-20/h5-7,10,12-13H,2-4,8-9,11H2,1H3,(H,19,21)
InChIKeySJBLDYATXCPVGG-UHFFFAOYSA-N
XLogP3.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-thiophen-3-ylacetamide (CID 4805511) is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-thiophen-3-ylacetamide is COc1ccc(NC(=O)Cc2ccsc2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-thiophen-3-ylacetamide?
The InChIKey is SJBLDYATXCPVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-24-16-6-5-15(19-18(21)11-14-7-10-25-13-14)12-17(16)26(22,23)20-8-3-2-4-9-20/h5-7,10,12-13H,2-4,8-9,11H2,1H3,(H,19,21).
What are the key properties of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-thiophen-3-ylacetamide?
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-thiophen-3-ylacetamide has a molecular weight of 394.52 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 4805511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).