N-(2-methylsulfanylphenyl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide

C20H24N2O4S2 — CID 2236404

IUPACN-(2-methylsulfanylphenyl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
SMILESCSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H24N2O4S2/c1-27-19-8-4-3-7-18(19)21-20(23)15-26-16-9-11-17(12-10-16)28(24,25)22-13-5-2-6-14-22/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,21,23)
InChIKeyORSLUOZQNGZUJB-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.60
Rot. Bonds7

About N-(2-methylsulfanylphenyl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide

N-(2-methylsulfanylphenyl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide (PubChem CID 2236404) has the molecular formula C20H24N2O4S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
PubChem CID2236404
Molecular FormulaC20H24N2O4S2
Molecular Weight420.56 g/mol
Exact Mass420.12
IUPAC NameN-(2-methylsulfanylphenyl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
SMILESCSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H24N2O4S2/c1-27-19-8-4-3-7-18(19)21-20(23)15-26-16-9-11-17(12-10-16)28(24,25)22-13-5-2-6-14-22/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,21,23)
InChIKeyORSLUOZQNGZUJB-UHFFFAOYSA-N
XLogP3.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 45374722
N-(2,6-dichlorophenyl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 3987191
N-(2,4-difluorophenyl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 45375671
N-(4-piperidin-1-ylsulfonylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1298043
N-(2-chlorophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6491403
N-butan-2-yl-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 4695524
2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)acetamide
CID 7688925
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28554554
N-(4-propan-2-ylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 45374710
2-(4-ethoxyphenoxy)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 16546031
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenoxy)acetamide
CID 1010577
methyl 2-(4-piperidin-1-ylsulfonylphenoxy)acetate
CID 1082948

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide (CID 2236404) is N-(2-methylsulfanylphenyl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide is CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(2-methylsulfanylphenyl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide?
The InChIKey is ORSLUOZQNGZUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S2/c1-27-19-8-4-3-7-18(19)21-20(23)15-26-16-9-11-17(12-10-16)28(24,25)22-13-5-2-6-14-22/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,21,23).
What are the key properties of N-(2-methylsulfanylphenyl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide?
N-(2-methylsulfanylphenyl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide has a molecular weight of 420.56 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide is sourced from PubChem (CID 2236404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).