N-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]propanamide

C34H36ClN3O5S — CID 133237390

IUPACN-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]propanamide
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)C(C(=O)NCc2ccccc2OC)c2ccccc2)cc1
InChIInChI=1S/C34H36ClN3O5S/c1-3-37-44(41,42)30-20-15-25(16-21-30)17-22-32(39)38(24-26-13-18-29(35)19-14-26)33(27-9-5-4-6-10-27)34(40)36-23-28-11-7-8-12-31(28)43-2/h4-16,18-21,33,37H,3,17,22-24H2,1-2H3,(H,36,40)
InChIKeyGXPBORFQCQOTKZ-UHFFFAOYSA-N
MW634.20 g/mol
LogP5.67
Rot. Bonds14

About N-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]propanamide

N-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]propanamide (PubChem CID 133237390) has the molecular formula C34H36ClN3O5S and a molecular weight of 634.20 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]propanamide
PubChem CID133237390
Molecular FormulaC34H36ClN3O5S
Molecular Weight634.20 g/mol
Exact Mass633.21
IUPAC NameN-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]propanamide
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)C(C(=O)NCc2ccccc2OC)c2ccccc2)cc1
InChIInChI=1S/C34H36ClN3O5S/c1-3-37-44(41,42)30-20-15-25(16-21-30)17-22-32(39)38(24-26-13-18-29(35)19-14-26)33(27-9-5-4-6-10-27)34(40)36-23-28-11-7-8-12-31(28)43-2/h4-16,18-21,33,37H,3,17,22-24H2,1-2H3,(H,36,40)
InChIKeyGXPBORFQCQOTKZ-UHFFFAOYSA-N
XLogP5.67
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.20
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]propanamide
CID 133237376
N-[(4-chlorophenyl)methyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]butanamide
CID 133237635
2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 133237763
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(4-methoxyphenyl)methyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]propanamide
CID 133238619
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 133237216
2-[benzyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 133213822
2-[(4-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 133149508
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 133238865
3-[4-(ethylsulfamoyl)phenyl]-N-[(4-fluorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(pyridin-2-ylmethylamino)ethyl]propanamide
CID 133237928
N-benzyl-3-[4-(ethylsulfamoyl)phenyl]-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide
CID 133236835
2-[(4-chlorophenyl)methyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-phenylethyl)propanamide
CID 133149182
N-[(4-methoxyphenyl)methyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]butanamide
CID 133238737

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]propanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]propanamide (CID 133237390) is N-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]propanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]propanamide is CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)C(C(=O)NCc2ccccc2OC)c2ccccc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]propanamide?
The InChIKey is GXPBORFQCQOTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36ClN3O5S/c1-3-37-44(41,42)30-20-15-25(16-21-30)17-22-32(39)38(24-26-13-18-29(35)19-14-26)33(27-9-5-4-6-10-27)34(40)36-23-28-11-7-8-12-31(28)43-2/h4-16,18-21,33,37H,3,17,22-24H2,1-2H3,(H,36,40).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]propanamide?
N-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]propanamide has a molecular weight of 634.20 g/mol, XLogP of 5.67, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]propanamide is sourced from PubChem (CID 133237390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).