N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-2-ylacetamide

C18H22N2O3S2 — CID 2931550

IUPACN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-2-ylacetamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)CC1
InChIInChI=1S/C18H22N2O3S2/c1-14-8-10-20(11-9-14)25(22,23)17-6-4-15(5-7-17)19-18(21)13-16-3-2-12-24-16/h2-7,12,14H,8-11,13H2,1H3,(H,19,21)
InChIKeyHCUOZUMKKMMKNK-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.35
Rot. Bonds5

About N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-2-ylacetamide

N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-2-ylacetamide (PubChem CID 2931550) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-2-ylacetamide
PubChem CID2931550
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-2-ylacetamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)CC1
InChIInChI=1S/C18H22N2O3S2/c1-14-8-10-20(11-9-14)25(22,23)17-6-4-15(5-7-17)19-18(21)13-16-3-2-12-24-16/h2-7,12,14H,8-11,13H2,1H3,(H,19,21)
InChIKeyHCUOZUMKKMMKNK-UHFFFAOYSA-N
XLogP3.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-2-ylacetamide (CID 2931550) is N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-2-ylacetamide is CC1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-2-ylacetamide?
The InChIKey is HCUOZUMKKMMKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-14-8-10-20(11-9-14)25(22,23)17-6-4-15(5-7-17)19-18(21)13-16-3-2-12-24-16/h2-7,12,14H,8-11,13H2,1H3,(H,19,21).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-2-ylacetamide?
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-2-ylacetamide has a molecular weight of 378.52 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 2931550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).