2-(4-chloro-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide

C20H24ClN3O4S — CID 1226678

IUPAC2-(4-chloro-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)ccc1Cl
InChIInChI=1S/C20H24ClN3O4S/c1-15-13-17(5-8-19(15)21)28-14-20(25)22-16-3-6-18(7-4-16)29(26,27)24-11-9-23(2)10-12-24/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyDWFYTOSMDMEKAT-UHFFFAOYSA-N
MW437.95 g/mol
LogP2.60
Rot. Bonds6

About 2-(4-chloro-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide

2-(4-chloro-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide (PubChem CID 1226678) has the molecular formula C20H24ClN3O4S and a molecular weight of 437.95 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
PubChem CID1226678
Molecular FormulaC20H24ClN3O4S
Molecular Weight437.95 g/mol
Exact Mass437.12
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)ccc1Cl
InChIInChI=1S/C20H24ClN3O4S/c1-15-13-17(5-8-19(15)21)28-14-20(25)22-16-3-6-18(7-4-16)29(26,27)24-11-9-23(2)10-12-24/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyDWFYTOSMDMEKAT-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide (CID 1226678) is 2-(4-chloro-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide is Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is DWFYTOSMDMEKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O4S/c1-15-13-17(5-8-19(15)21)28-14-20(25)22-16-3-6-18(7-4-16)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-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
2-(4-chloro-3-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-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 1226678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).