2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide

C25H34N4O5S — CID 99968022

IUPAC2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C25H34N4O5S/c1-18(2)16-26-35(32,33)22-9-10-23(19(3)15-22)34-17-24(30)27-21-7-5-20(6-8-21)25(31)29-13-11-28(4)12-14-29/h5-10,15,18,26H,11-14,16-17H2,1-4H3,(H,27,30)
InChIKeyKYMDQRTZTTYOTD-UHFFFAOYSA-N
MW502.64 g/mol
LogP2.33
Rot. Bonds9

About 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide

2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide (PubChem CID 99968022) has the molecular formula C25H34N4O5S and a molecular weight of 502.64 g/mol. Its IUPAC name is 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
PubChem CID99968022
Molecular FormulaC25H34N4O5S
Molecular Weight502.64 g/mol
Exact Mass502.22
IUPAC Name2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C25H34N4O5S/c1-18(2)16-26-35(32,33)22-9-10-23(19(3)15-22)34-17-24(30)27-21-7-5-20(6-8-21)25(31)29-13-11-28(4)12-14-29/h5-10,15,18,26H,11-14,16-17H2,1-4H3,(H,27,30)
InChIKeyKYMDQRTZTTYOTD-UHFFFAOYSA-N
XLogP2.33
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.64
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 99968082
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 3619640
(2R)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 99967604
2-[2-chloro-4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 99968127
N-(3-chloro-4-methoxyphenyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 1243560
2-[2-methyl-4-(phenylsulfamoyl)phenoxy]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 99968060
4-[2-(azepan-1-yl)-2-oxoethoxy]-3-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 2221977
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 1266199
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 28554818
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-nitrophenyl)acetamide
CID 1254790
N-(2,6-dichlorophenyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 5001110
3-methyl-N-(2-methylpropyl)-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzenesulfonamide
CID 2983724

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide (CID 99968022) is 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide is Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide?
The InChIKey is KYMDQRTZTTYOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O5S/c1-18(2)16-26-35(32,33)22-9-10-23(19(3)15-22)34-17-24(30)27-21-7-5-20(6-8-21)25(31)29-13-11-28(4)12-14-29/h5-10,15,18,26H,11-14,16-17H2,1-4H3,(H,27,30).
What are the key properties of 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide?
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide has a molecular weight of 502.64 g/mol, XLogP of 2.33, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 99968022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).