N-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]propanamide

C34H36ClN3O4S — CID 133237376

IUPACN-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]propanamide
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)C(C(=O)NCCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H36ClN3O4S/c1-2-37-43(41,42)31-20-15-27(16-21-31)17-22-32(39)38(25-28-13-18-30(35)19-14-28)33(29-11-7-4-8-12-29)34(40)36-24-23-26-9-5-3-6-10-26/h3-16,18-21,33,37H,2,17,22-25H2,1H3,(H,36,40)
InChIKeyGYYHKCJZOJWBRZ-UHFFFAOYSA-N
MW618.20 g/mol
LogP5.70
Rot. Bonds14

About N-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]propanamide

N-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]propanamide (PubChem CID 133237376) has the molecular formula C34H36ClN3O4S and a molecular weight of 618.20 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]propanamide
PubChem CID133237376
Molecular FormulaC34H36ClN3O4S
Molecular Weight618.20 g/mol
Exact Mass617.21
IUPAC NameN-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]propanamide
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)C(C(=O)NCCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H36ClN3O4S/c1-2-37-43(41,42)31-20-15-27(16-21-31)17-22-32(39)38(25-28-13-18-30(35)19-14-28)33(29-11-7-4-8-12-29)34(40)36-24-23-26-9-5-3-6-10-26/h3-16,18-21,33,37H,2,17,22-25H2,1H3,(H,36,40)
InChIKeyGYYHKCJZOJWBRZ-UHFFFAOYSA-N
XLogP5.70
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.20
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)methyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-phenylethyl)propanamide
CID 133149182
N-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]propanamide
CID 133237390
N-benzyl-3-[4-(ethylsulfamoyl)phenyl]-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide
CID 133236835
2-[benzyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 133213822
N-benzyl-3-[4-(ethylsulfamoyl)phenyl]-N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide
CID 133236862
3-[4-(ethylsulfamoyl)phenyl]-N-[(4-fluorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(pyridin-2-ylmethylamino)ethyl]propanamide
CID 133237928
2-[(4-chlorophenyl)methyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(3-methylbutyl)propanamide
CID 133149196
2-[(4-chlorophenyl)methyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(3-ethoxypropyl)propanamide
CID 133149191
2-[benzyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 133213817
2-[benzyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-methoxyethyl)propanamide
CID 133148681
N-[(4-chlorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(3-propan-2-yloxypropylamino)ethyl]-3-phenylpropanamide
CID 133237730
N-[2-(ethylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide
CID 133238256

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]propanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]propanamide (CID 133237376) is N-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]propanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]propanamide is CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)C(C(=O)NCCc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]propanamide?
The InChIKey is GYYHKCJZOJWBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36ClN3O4S/c1-2-37-43(41,42)31-20-15-27(16-21-31)17-22-32(39)38(25-28-13-18-30(35)19-14-28)33(29-11-7-4-8-12-29)34(40)36-24-23-26-9-5-3-6-10-26/h3-16,18-21,33,37H,2,17,22-25H2,1H3,(H,36,40).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]propanamide?
N-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]propanamide has a molecular weight of 618.20 g/mol, XLogP of 5.70, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]propanamide is sourced from PubChem (CID 133237376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).