2-(4-chloro-2-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide

C20H24ClN3O4S — CID 1226684

IUPAC2-(4-chloro-2-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C20H24ClN3O4S/c1-15-13-16(21)3-8-19(15)28-14-20(25)22-17-4-6-18(7-5-17)29(26,27)24-11-9-23(2)10-12-24/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyWXWONUZARXVLIM-UHFFFAOYSA-N
MW437.95 g/mol
LogP2.60
Rot. Bonds6

About 2-(4-chloro-2-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide (PubChem CID 1226684) has the molecular formula C20H24ClN3O4S and a molecular weight of 437.95 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
PubChem CID1226684
Molecular FormulaC20H24ClN3O4S
Molecular Weight437.95 g/mol
Exact Mass437.12
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C20H24ClN3O4S/c1-15-13-16(21)3-8-19(15)28-14-20(25)22-17-4-6-18(7-5-17)29(26,27)24-11-9-23(2)10-12-24/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyWXWONUZARXVLIM-UHFFFAOYSA-N
XLogP2.60
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 4922905
2-[2-methyl-4-(phenylsulfamoyl)phenoxy]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 99968060
2-(2-acetyl-4-chlorophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4783784
N-(3,5-dichlorophenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126394235
2-(2,4-dichlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1080666
2-[2-chloro-4-[(4-methoxyphenyl)sulfamoyl]phenoxy]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 99968118
N-(3,4-dimethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126394212
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 4619509
2-(4-chloro-2-methylphenoxy)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 1013139
2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16547841
N-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 16789348
N-(4-acetamidophenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 92647741

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide (CID 1226684) is 2-(4-chloro-2-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide is Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is WXWONUZARXVLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O4S/c1-15-13-16(21)3-8-19(15)28-14-20(25)22-17-4-6-18(7-5-17)29(26,27)24-11-9-23(2)10-12-24/h3-8,13H,9-12,14H2,1-2H3,(H,22,25).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 437.95 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 1226684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).