2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide

C22H30N2O4S2 — CID 55591099

IUPAC2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
SMILESCC(C)OCc1ccccc1CNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1
InChIInChI=1S/C22H30N2O4S2/c1-17(2)28-16-19-9-5-4-8-18(19)15-23-21(25)14-20-10-11-22(29-20)30(26,27)24-12-6-3-7-13-24/h4-5,8-11,17H,3,6-7,12-16H2,1-2H3,(H,23,25)
InChIKeyLBOAYPLEMYYYJV-UHFFFAOYSA-N
MW450.63 g/mol
LogP3.71
Rot. Bonds9

About 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide

2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide (PubChem CID 55591099) has the molecular formula C22H30N2O4S2 and a molecular weight of 450.63 g/mol. Its IUPAC name is 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
PubChem CID55591099
Molecular FormulaC22H30N2O4S2
Molecular Weight450.63 g/mol
Exact Mass450.16
IUPAC Name2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
SMILESCC(C)OCc1ccccc1CNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1
InChIInChI=1S/C22H30N2O4S2/c1-17(2)28-16-19-9-5-4-8-18(19)15-23-21(25)14-20-10-11-22(29-20)30(26,27)24-12-6-3-7-13-24/h4-5,8-11,17H,3,6-7,12-16H2,1-2H3,(H,23,25)
InChIKeyLBOAYPLEMYYYJV-UHFFFAOYSA-N
XLogP3.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(ethoxymethyl)phenyl]methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55599936
N-(3-aminobutyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride
CID 119497975
N-[(4-methylphenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 26119177
N-[(3,5-dimethoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55596173
N-[(2-bromo-5-fluorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55900603
N-[(4-chlorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 8713130
3-methyl-2-[(2-phenylacetyl)amino]-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]butanamide
CID 17483569
N-[(3-methylphenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 37430896
N-[(3,5-dimethoxyphenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55595327
N-(2-amino-2-methylpropyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119627872
2-naphthalen-1-yl-N-[2-oxo-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methylamino]ethyl]acetamide
CID 16602108
N-(3-phenoxypropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55431438

Frequently Asked Questions

What is the IUPAC name of 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide (CID 55591099) is 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide is CC(C)OCc1ccccc1CNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1.
What is the InChIKey of 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide?
The InChIKey is LBOAYPLEMYYYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S2/c1-17(2)28-16-19-9-5-4-8-18(19)15-23-21(25)14-20-10-11-22(29-20)30(26,27)24-12-6-3-7-13-24/h4-5,8-11,17H,3,6-7,12-16H2,1-2H3,(H,23,25).
What are the key properties of 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide?
2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide has a molecular weight of 450.63 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55591099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).