N-benzyl-3-[4-(ethylsulfamoyl)phenyl]-N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide

C32H40N4O5S — CID 133236862

IUPACN-benzyl-3-[4-(ethylsulfamoyl)phenyl]-N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)C(C(=O)NCCN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C32H40N4O5S/c1-2-34-42(39,40)29-16-13-26(14-17-29)15-18-30(37)36(25-27-9-5-3-6-10-27)31(28-11-7-4-8-12-28)32(38)33-19-20-35-21-23-41-24-22-35/h3-14,16-17,31,34H,2,15,18-25H2,1H3,(H,33,38)
InChIKeyRPYRTIZUIHTSCF-UHFFFAOYSA-N
MW592.76 g/mol
LogP3.14
Rot. Bonds14

About N-benzyl-3-[4-(ethylsulfamoyl)phenyl]-N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide

N-benzyl-3-[4-(ethylsulfamoyl)phenyl]-N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide (PubChem CID 133236862) has the molecular formula C32H40N4O5S and a molecular weight of 592.76 g/mol. Its IUPAC name is N-benzyl-3-[4-(ethylsulfamoyl)phenyl]-N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[4-(ethylsulfamoyl)phenyl]-N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide
PubChem CID133236862
Molecular FormulaC32H40N4O5S
Molecular Weight592.76 g/mol
Exact Mass592.27
IUPAC NameN-benzyl-3-[4-(ethylsulfamoyl)phenyl]-N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)C(C(=O)NCCN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C32H40N4O5S/c1-2-34-42(39,40)29-16-13-26(14-17-29)15-18-30(37)36(25-27-9-5-3-6-10-27)31(28-11-7-4-8-12-28)32(38)33-19-20-35-21-23-41-24-22-35/h3-14,16-17,31,34H,2,15,18-25H2,1H3,(H,33,38)
InChIKeyRPYRTIZUIHTSCF-UHFFFAOYSA-N
XLogP3.14
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.76
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-benzyl-3-[4-(ethylsulfamoyl)phenyl]-N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide 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-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]propanamide
CID 133237376
N-benzyl-3-[4-(ethylsulfamoyl)phenyl]-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide
CID 133236835
3-[4-(ethylsulfamoyl)phenyl]-N-[(4-fluorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(pyridin-2-ylmethylamino)ethyl]propanamide
CID 133237928
N-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]propanamide
CID 133237390
N-benzyl-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(2-hydroxyethylamino)-2-oxo-1-phenylethyl]propanamide
CID 133236966
N-benzyl-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]butanamide
CID 133148925
N-benzyl-3-(2-morpholin-4-ylethylamino)-N-propan-2-ylpropanamide
CID 109016746
2-[benzyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-methoxyethyl)propanamide
CID 133148681
2-[benzyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 133213817
2-[(4-chlorophenyl)methyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-phenylethyl)propanamide
CID 133149182
N-[2-(ethylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide
CID 133238256
2-[benzyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 133213822

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[4-(ethylsulfamoyl)phenyl]-N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide?
The IUPAC name of N-benzyl-3-[4-(ethylsulfamoyl)phenyl]-N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide (CID 133236862) is N-benzyl-3-[4-(ethylsulfamoyl)phenyl]-N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide.
What is the SMILES notation for N-benzyl-3-[4-(ethylsulfamoyl)phenyl]-N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide?
The canonical SMILES for N-benzyl-3-[4-(ethylsulfamoyl)phenyl]-N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide is CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)C(C(=O)NCCN2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of N-benzyl-3-[4-(ethylsulfamoyl)phenyl]-N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide?
The InChIKey is RPYRTIZUIHTSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N4O5S/c1-2-34-42(39,40)29-16-13-26(14-17-29)15-18-30(37)36(25-27-9-5-3-6-10-27)31(28-11-7-4-8-12-28)32(38)33-19-20-35-21-23-41-24-22-35/h3-14,16-17,31,34H,2,15,18-25H2,1H3,(H,33,38).
What are the key properties of N-benzyl-3-[4-(ethylsulfamoyl)phenyl]-N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide?
N-benzyl-3-[4-(ethylsulfamoyl)phenyl]-N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide has a molecular weight of 592.76 g/mol, XLogP of 3.14, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[4-(ethylsulfamoyl)phenyl]-N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide is sourced from PubChem (CID 133236862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).