[2-[4-(dibenzylsulfamoyl)phenyl]-2-oxoethyl] N-(2-chlorophenyl)carbamate

C29H25ClN2O5S — CID 70269768

IUPAC[2-[4-(dibenzylsulfamoyl)phenyl]-2-oxoethyl] N-(2-chlorophenyl)carbamate
SMILESO=C(Nc1ccccc1Cl)OCC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C29H25ClN2O5S/c30-26-13-7-8-14-27(26)31-29(34)37-21-28(33)24-15-17-25(18-16-24)38(35,36)32(19-22-9-3-1-4-10-22)20-23-11-5-2-6-12-23/h1-18H,19-21H2,(H,31,34)
InChIKeyHERFSGWCCWYKLE-UHFFFAOYSA-N
MW549.05 g/mol
LogP6.16
Rot. Bonds10

About [2-[4-(dibenzylsulfamoyl)phenyl]-2-oxoethyl] N-(2-chlorophenyl)carbamate

[2-[4-(dibenzylsulfamoyl)phenyl]-2-oxoethyl] N-(2-chlorophenyl)carbamate (PubChem CID 70269768) has the molecular formula C29H25ClN2O5S and a molecular weight of 549.05 g/mol. Its IUPAC name is [2-[4-(dibenzylsulfamoyl)phenyl]-2-oxoethyl] N-(2-chlorophenyl)carbamate.

Molecular Properties

Compound Name[2-[4-(dibenzylsulfamoyl)phenyl]-2-oxoethyl] N-(2-chlorophenyl)carbamate
PubChem CID70269768
Molecular FormulaC29H25ClN2O5S
Molecular Weight549.05 g/mol
Exact Mass548.12
IUPAC Name[2-[4-(dibenzylsulfamoyl)phenyl]-2-oxoethyl] N-(2-chlorophenyl)carbamate
SMILESO=C(Nc1ccccc1Cl)OCC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C29H25ClN2O5S/c30-26-13-7-8-14-27(26)31-29(34)37-21-28(33)24-15-17-25(18-16-24)38(35,36)32(19-22-9-3-1-4-10-22)20-23-11-5-2-6-12-23/h1-18H,19-21H2,(H,31,34)
InChIKeyHERFSGWCCWYKLE-UHFFFAOYSA-N
XLogP6.16
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.05
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dibenzyl-4-[2-(4-chlorophenoxy)acetyl]benzenesulfonamide
CID 18669510
[2-(2-chloroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557633
4-[2-(6-amino-2,3-dichlorophenyl)acetyl]-N,N-dibenzylbenzenesulfonamide
CID 140994525
[4-[2-[4-(dibenzylsulfamoyl)phenyl]-2-oxoethyl]-2-methylphenyl]carbamic acid
CID 70266385
N-benzyl-4-chloro-N-[[4-(3-cyclopropylpropanoyl)phenyl]methyl]benzenesulfonamide
CID 58129138
3-[benzyl-(4-chlorophenyl)sulfonylamino]propanoic acid
CID 45472536
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-(2,6-dichlorophenyl)acetamide
CID 126010528
N-benzyl-4-chloro-N-[[4-[(propanoylamino)carbamoyl]phenyl]methyl]benzenesulfonamide
CID 26861330
2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl 3-oxo-3-phenylpropanoate
CID 101135511
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-ethoxyacetamide
CID 18168976
N,N-dibenzyl-6-chloropyridine-3-sulfonamide
CID 2433225
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
CID 99677227

Frequently Asked Questions

What is the IUPAC name of [2-[4-(dibenzylsulfamoyl)phenyl]-2-oxoethyl] N-(2-chlorophenyl)carbamate?
The IUPAC name of [2-[4-(dibenzylsulfamoyl)phenyl]-2-oxoethyl] N-(2-chlorophenyl)carbamate (CID 70269768) is [2-[4-(dibenzylsulfamoyl)phenyl]-2-oxoethyl] N-(2-chlorophenyl)carbamate.
What is the SMILES notation for [2-[4-(dibenzylsulfamoyl)phenyl]-2-oxoethyl] N-(2-chlorophenyl)carbamate?
The canonical SMILES for [2-[4-(dibenzylsulfamoyl)phenyl]-2-oxoethyl] N-(2-chlorophenyl)carbamate is O=C(Nc1ccccc1Cl)OCC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of [2-[4-(dibenzylsulfamoyl)phenyl]-2-oxoethyl] N-(2-chlorophenyl)carbamate?
The InChIKey is HERFSGWCCWYKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClN2O5S/c30-26-13-7-8-14-27(26)31-29(34)37-21-28(33)24-15-17-25(18-16-24)38(35,36)32(19-22-9-3-1-4-10-22)20-23-11-5-2-6-12-23/h1-18H,19-21H2,(H,31,34).
What are the key properties of [2-[4-(dibenzylsulfamoyl)phenyl]-2-oxoethyl] N-(2-chlorophenyl)carbamate?
[2-[4-(dibenzylsulfamoyl)phenyl]-2-oxoethyl] N-(2-chlorophenyl)carbamate has a molecular weight of 549.05 g/mol, XLogP of 6.16, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dibenzylsulfamoyl)phenyl]-2-oxoethyl] N-(2-chlorophenyl)carbamate is sourced from PubChem (CID 70269768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).