N-[4-(4-ethylpiperazin-1-yl)-3-(1-phenylethylsulfamoyl)phenyl]-2-methoxybenzamide

C28H34N4O4S — CID 46110278

IUPACN-[4-(4-ethylpiperazin-1-yl)-3-(1-phenylethylsulfamoyl)phenyl]-2-methoxybenzamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ccccc3OC)cc2S(=O)(=O)NC(C)c2ccccc2)CC1
InChIInChI=1S/C28H34N4O4S/c1-4-31-16-18-32(19-17-31)25-15-14-23(29-28(33)24-12-8-9-13-26(24)36-3)20-27(25)37(34,35)30-21(2)22-10-6-5-7-11-22/h5-15,20-21,30H,4,16-19H2,1-3H3,(H,29,33)
InChIKeyAJBZLYFEPWDPKT-UHFFFAOYSA-N
MW522.67 g/mol
LogP4.13
Rot. Bonds9

About N-[4-(4-ethylpiperazin-1-yl)-3-(1-phenylethylsulfamoyl)phenyl]-2-methoxybenzamide

N-[4-(4-ethylpiperazin-1-yl)-3-(1-phenylethylsulfamoyl)phenyl]-2-methoxybenzamide (PubChem CID 46110278) has the molecular formula C28H34N4O4S and a molecular weight of 522.67 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)-3-(1-phenylethylsulfamoyl)phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)-3-(1-phenylethylsulfamoyl)phenyl]-2-methoxybenzamide
PubChem CID46110278
Molecular FormulaC28H34N4O4S
Molecular Weight522.67 g/mol
Exact Mass522.23
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)-3-(1-phenylethylsulfamoyl)phenyl]-2-methoxybenzamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ccccc3OC)cc2S(=O)(=O)NC(C)c2ccccc2)CC1
InChIInChI=1S/C28H34N4O4S/c1-4-31-16-18-32(19-17-31)25-15-14-23(29-28(33)24-12-8-9-13-26(24)36-3)20-27(25)37(34,35)30-21(2)22-10-6-5-7-11-22/h5-15,20-21,30H,4,16-19H2,1-3H3,(H,29,33)
InChIKeyAJBZLYFEPWDPKT-UHFFFAOYSA-N
XLogP4.13
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.67
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(4-ethylpiperazin-1-yl)-3-(1-phenylethylsulfamoyl)phenyl]-2-methoxybenzamide 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-fluoro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(1-phenylethylsulfamoyl)phenyl]benzamide
CID 46110417
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(1-phenylethylsulfamoyl)phenyl]-2-phenylacetamide
CID 46110405
1-butyl-3-[4-(4-ethylpiperazin-1-yl)-3-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]urea
CID 93018912
(E)-N-[4-(4-ethylpiperazin-1-yl)-3-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 93018756
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]hexanamide
CID 98394961
N-[4-(4-ethylpiperazin-1-yl)-3-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]naphthalene-2-sulfonamide
CID 98422925
N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]-2-methylpropanamide
CID 98197924
N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]hexanamide
CID 98394959
1-[4-[(3,5-dimethoxybenzoyl)amino]-2-(1-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 46110555
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-2-methoxybenzamide
CID 3161538
5-(methanesulfonamido)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)benzenesulfonamide
CID 46110604
1-[4-[(2-chloroacetyl)amino]-2-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]piperidine-4-carboxamide
CID 93018894

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)-3-(1-phenylethylsulfamoyl)phenyl]-2-methoxybenzamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)-3-(1-phenylethylsulfamoyl)phenyl]-2-methoxybenzamide (CID 46110278) is N-[4-(4-ethylpiperazin-1-yl)-3-(1-phenylethylsulfamoyl)phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)-3-(1-phenylethylsulfamoyl)phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)-3-(1-phenylethylsulfamoyl)phenyl]-2-methoxybenzamide is CCN1CCN(c2ccc(NC(=O)c3ccccc3OC)cc2S(=O)(=O)NC(C)c2ccccc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)-3-(1-phenylethylsulfamoyl)phenyl]-2-methoxybenzamide?
The InChIKey is AJBZLYFEPWDPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4S/c1-4-31-16-18-32(19-17-31)25-15-14-23(29-28(33)24-12-8-9-13-26(24)36-3)20-27(25)37(34,35)30-21(2)22-10-6-5-7-11-22/h5-15,20-21,30H,4,16-19H2,1-3H3,(H,29,33).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)-3-(1-phenylethylsulfamoyl)phenyl]-2-methoxybenzamide?
N-[4-(4-ethylpiperazin-1-yl)-3-(1-phenylethylsulfamoyl)phenyl]-2-methoxybenzamide has a molecular weight of 522.67 g/mol, XLogP of 4.13, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)-3-(1-phenylethylsulfamoyl)phenyl]-2-methoxybenzamide is sourced from PubChem (CID 46110278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).