2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide

C23H30N4O5S — CID 99968082

IUPAC2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C23H30N4O5S/c1-17-15-20(33(30,31)25(2)3)9-10-21(17)32-16-22(28)24-19-7-5-18(6-8-19)23(29)27-13-11-26(4)12-14-27/h5-10,15H,11-14,16H2,1-4H3,(H,24,28)
InChIKeyRCPBNXMOWJUNEH-UHFFFAOYSA-N
MW474.58 g/mol
LogP1.65
Rot. Bonds7

About 2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide

2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide (PubChem CID 99968082) has the molecular formula C23H30N4O5S and a molecular weight of 474.58 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
PubChem CID99968082
Molecular FormulaC23H30N4O5S
Molecular Weight474.58 g/mol
Exact Mass474.19
IUPAC Name2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C23H30N4O5S/c1-17-15-20(33(30,31)25(2)3)9-10-21(17)32-16-22(28)24-19-7-5-18(6-8-19)23(29)27-13-11-26(4)12-14-27/h5-10,15H,11-14,16H2,1-4H3,(H,24,28)
InChIKeyRCPBNXMOWJUNEH-UHFFFAOYSA-N
XLogP1.65
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 99968022
(2R)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 99967604
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 99967933
2-(4-chloro-2-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 1226684
2-[2-chloro-4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 99968127
(3S)-1-(4-ethoxy-3-methylphenyl)sulfonyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-3-carboxamide
CID 99967841
2-[2-methyl-4-(phenylsulfamoyl)phenoxy]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 99968060
ethyl 4-[4-(dimethylsulfamoyl)benzoyl]piperazine-1-carboxylate
CID 3308115
2-(4-chloro-2-methylphenoxy)-N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]acetamide
CID 17335450
N-[4-(azepane-1-carbonyl)phenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 17199024
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 4801402
2-(2,4-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2500700

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide (CID 99968082) is 2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide is Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide?
The InChIKey is RCPBNXMOWJUNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5S/c1-17-15-20(33(30,31)25(2)3)9-10-21(17)32-16-22(28)24-19-7-5-18(6-8-19)23(29)27-13-11-26(4)12-14-27/h5-10,15H,11-14,16H2,1-4H3,(H,24,28).
What are the key properties of 2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide?
2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide has a molecular weight of 474.58 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 99968082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).