5-(benzylsulfamoyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-methylbenzamide

C26H28ClN3O4S — CID 24818330

IUPAC5-(benzylsulfamoyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-methylbenzamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C
InChIInChI=1S/C26H28ClN3O4S/c1-3-30(18-25(31)28-16-21-10-12-22(27)13-11-21)26(32)24-15-23(14-9-19(24)2)35(33,34)29-17-20-7-5-4-6-8-20/h4-15,29H,3,16-18H2,1-2H3,(H,28,31)
InChIKeyUPPQZRXVSHOBLB-UHFFFAOYSA-N
MW514.05 g/mol
LogP3.91
Rot. Bonds10

About 5-(benzylsulfamoyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-methylbenzamide

5-(benzylsulfamoyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-methylbenzamide (PubChem CID 24818330) has the molecular formula C26H28ClN3O4S and a molecular weight of 514.05 g/mol. Its IUPAC name is 5-(benzylsulfamoyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-methylbenzamide.

Molecular Properties

Compound Name5-(benzylsulfamoyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-methylbenzamide
PubChem CID24818330
Molecular FormulaC26H28ClN3O4S
Molecular Weight514.05 g/mol
Exact Mass513.15
IUPAC Name5-(benzylsulfamoyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-methylbenzamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C
InChIInChI=1S/C26H28ClN3O4S/c1-3-30(18-25(31)28-16-21-10-12-22(27)13-11-21)26(32)24-15-23(14-9-19(24)2)35(33,34)29-17-20-7-5-4-6-8-20/h4-15,29H,3,16-18H2,1-2H3,(H,28,31)
InChIKeyUPPQZRXVSHOBLB-UHFFFAOYSA-N
XLogP3.91
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.05
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfamoyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-methylbenzamide?
The IUPAC name of 5-(benzylsulfamoyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-methylbenzamide (CID 24818330) is 5-(benzylsulfamoyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-methylbenzamide.
What is the SMILES notation for 5-(benzylsulfamoyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-methylbenzamide?
The canonical SMILES for 5-(benzylsulfamoyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-methylbenzamide is CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C.
What is the InChIKey of 5-(benzylsulfamoyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-methylbenzamide?
The InChIKey is UPPQZRXVSHOBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O4S/c1-3-30(18-25(31)28-16-21-10-12-22(27)13-11-21)26(32)24-15-23(14-9-19(24)2)35(33,34)29-17-20-7-5-4-6-8-20/h4-15,29H,3,16-18H2,1-2H3,(H,28,31).
What are the key properties of 5-(benzylsulfamoyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-methylbenzamide?
5-(benzylsulfamoyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-methylbenzamide has a molecular weight of 514.05 g/mol, XLogP of 3.91, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfamoyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-methylbenzamide is sourced from PubChem (CID 24818330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).