2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

C20H23ClN2O4S — CID 3543964

IUPAC2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1Cl
InChIInChI=1S/C20H23ClN2O4S/c1-15-13-17(7-10-19(15)21)27-14-20(24)22-16-5-8-18(9-6-16)28(25,26)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12,14H2,1H3,(H,22,24)
InChIKeyPSZMPLDGZVMXIY-UHFFFAOYSA-N
MW422.93 g/mol
LogP3.84
Rot. Bonds6

About 2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 3543964) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID3543964
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1Cl
InChIInChI=1S/C20H23ClN2O4S/c1-15-13-17(7-10-19(15)21)27-14-20(24)22-16-5-8-18(9-6-16)28(25,26)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12,14H2,1H3,(H,22,24)
InChIKeyPSZMPLDGZVMXIY-UHFFFAOYSA-N
XLogP3.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-3-methylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1329929
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenoxy)acetamide
CID 1010577
2-(4-chloro-3-methylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 18076736
2-(4-chloro-3-methylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
CID 2197171
N-(4-piperidin-1-ylsulfonylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1298043
N-(4-propan-2-ylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 45374710
2-(4-chloro-3-methylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 4924502
2-(2,6-dimethylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 2212028
N-[3-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethoxy]phenyl]propanamide
CID 18870292
2-(4-chloro-3-methylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3543968
2-(4-chloro-3-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 1183039
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093225

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 3543964) is 2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is PSZMPLDGZVMXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-15-13-17(7-10-19(15)21)27-14-20(24)22-16-5-8-18(9-6-16)28(25,26)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12,14H2,1H3,(H,22,24).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 422.93 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 3543964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).