2-(4-methoxyphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide

C21H26N2O4S — CID 4796983

IUPAC2-(4-methoxyphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1
InChIInChI=1S/C21H26N2O4S/c1-16-6-11-19(28(25,26)23-12-4-3-5-13-23)15-20(16)22-21(24)14-17-7-9-18(27-2)10-8-17/h6-11,15H,3-5,12-14H2,1-2H3,(H,22,24)
InChIKeyMRNAHXFYYYWYIJ-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.36
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide

2-(4-methoxyphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 4796983) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID4796983
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name2-(4-methoxyphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1
InChIInChI=1S/C21H26N2O4S/c1-16-6-11-19(28(25,26)23-12-4-3-5-13-23)15-20(16)22-21(24)14-17-7-9-18(27-2)10-8-17/h6-11,15H,3-5,12-14H2,1-2H3,(H,22,24)
InChIKeyMRNAHXFYYYWYIJ-UHFFFAOYSA-N
XLogP3.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide
CID 4787017
2-(4-methoxyphenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92678134
2-(4-ethoxyphenoxy)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 16546031
2-(2-fluorophenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4798645
2-fluoro-4-methoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 27844858
N-(4-methoxy-2-nitrophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 26438465
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 8894842
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 24506126
2-(3-methoxy-4-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 41484524
5-(azepan-1-ylsulfonyl)-N-(4-methoxyphenyl)-2-methylbenzamide
CID 53281671
2-(cyclopentylamino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4135329
2-methoxy-N-[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide
CID 43005431

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide (CID 4796983) is 2-(4-methoxyphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide is COc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is MRNAHXFYYYWYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-16-6-11-19(28(25,26)23-12-4-3-5-13-23)15-20(16)22-21(24)14-17-7-9-18(27-2)10-8-17/h6-11,15H,3-5,12-14H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-methoxyphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
2-(4-methoxyphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 402.52 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4796983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).