N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(4-sulfamoylphenyl)acetamide

C20H26N4O3S — CID 56545126

IUPACN-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(4-sulfamoylphenyl)acetamide
SMILESCN1CCN(Cc2cccc(NC(=O)Cc3ccc(S(N)(=O)=O)cc3)c2)CC1
InChIInChI=1S/C20H26N4O3S/c1-23-9-11-24(12-10-23)15-17-3-2-4-18(13-17)22-20(25)14-16-5-7-19(8-6-16)28(21,26)27/h2-8,13H,9-12,14-15H2,1H3,(H,22,25)(H2,21,26,27)
InChIKeyWJCJUWUTCXEOJX-UHFFFAOYSA-N
MW402.52 g/mol
LogP1.26
Rot. Bonds6

About N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(4-sulfamoylphenyl)acetamide

N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(4-sulfamoylphenyl)acetamide (PubChem CID 56545126) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(4-sulfamoylphenyl)acetamide
PubChem CID56545126
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC NameN-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(4-sulfamoylphenyl)acetamide
SMILESCN1CCN(Cc2cccc(NC(=O)Cc3ccc(S(N)(=O)=O)cc3)c2)CC1
InChIInChI=1S/C20H26N4O3S/c1-23-9-11-24(12-10-23)15-17-3-2-4-18(13-17)22-20(25)14-16-5-7-19(8-6-16)28(21,26)27/h2-8,13H,9-12,14-15H2,1H3,(H,22,25)(H2,21,26,27)
InChIKeyWJCJUWUTCXEOJX-UHFFFAOYSA-N
XLogP1.26
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(4-sulfamoylphenyl)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

N-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(4-sulfamoylphenyl)propanamide
CID 46410718
4-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide
CID 119902624
3-(2-aminophenyl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propanamide
CID 120613542
N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]octanamide
CID 60580118
2-cyclopentyl-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 60580220
N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(2-propan-2-yloxyphenyl)acetamide
CID 52815152
2-(4-aminophenyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]acetamide
CID 119869757
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(4-sulfamoylphenyl)acetamide
CID 56546473
2-(4-nitrophenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 34454824
2-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-phenylpropanamide
CID 119902578
3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 55482906
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 86839413

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(4-sulfamoylphenyl)acetamide?
The IUPAC name of N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(4-sulfamoylphenyl)acetamide (CID 56545126) is N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(4-sulfamoylphenyl)acetamide is CN1CCN(Cc2cccc(NC(=O)Cc3ccc(S(N)(=O)=O)cc3)c2)CC1.
What is the InChIKey of N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(4-sulfamoylphenyl)acetamide?
The InChIKey is WJCJUWUTCXEOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-23-9-11-24(12-10-23)15-17-3-2-4-18(13-17)22-20(25)14-16-5-7-19(8-6-16)28(21,26)27/h2-8,13H,9-12,14-15H2,1H3,(H,22,25)(H2,21,26,27).
What are the key properties of N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(4-sulfamoylphenyl)acetamide?
N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(4-sulfamoylphenyl)acetamide has a molecular weight of 402.52 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 56545126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).