[4-[2-[4-(dibenzylsulfamoyl)phenyl]-2-oxoethyl]-2-methylphenyl]carbamic acid

C30H28N2O5S — CID 70266385

IUPAC[4-[2-[4-(dibenzylsulfamoyl)phenyl]-2-oxoethyl]-2-methylphenyl]carbamic acid
SMILESCc1cc(CC(=O)c2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)ccc1NC(=O)O
InChIInChI=1S/C30H28N2O5S/c1-22-18-25(12-17-28(22)31-30(34)35)19-29(33)26-13-15-27(16-14-26)38(36,37)32(20-23-8-4-2-5-9-23)21-24-10-6-3-7-11-24/h2-18,31H,19-21H2,1H3,(H,34,35)
InChIKeyOLSMJWRQBSTTCW-UHFFFAOYSA-N
MW528.63 g/mol
LogP5.90
Rot. Bonds10

About [4-[2-[4-(dibenzylsulfamoyl)phenyl]-2-oxoethyl]-2-methylphenyl]carbamic acid

[4-[2-[4-(dibenzylsulfamoyl)phenyl]-2-oxoethyl]-2-methylphenyl]carbamic acid (PubChem CID 70266385) has the molecular formula C30H28N2O5S and a molecular weight of 528.63 g/mol. Its IUPAC name is [4-[2-[4-(dibenzylsulfamoyl)phenyl]-2-oxoethyl]-2-methylphenyl]carbamic acid.

Molecular Properties

Compound Name[4-[2-[4-(dibenzylsulfamoyl)phenyl]-2-oxoethyl]-2-methylphenyl]carbamic acid
PubChem CID70266385
Molecular FormulaC30H28N2O5S
Molecular Weight528.63 g/mol
Exact Mass528.17
IUPAC Name[4-[2-[4-(dibenzylsulfamoyl)phenyl]-2-oxoethyl]-2-methylphenyl]carbamic acid
SMILESCc1cc(CC(=O)c2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)ccc1NC(=O)O
InChIInChI=1S/C30H28N2O5S/c1-22-18-25(12-17-28(22)31-30(34)35)19-29(33)26-13-15-27(16-14-26)38(36,37)32(20-23-8-4-2-5-9-23)21-24-10-6-3-7-11-24/h2-18,31H,19-21H2,1H3,(H,34,35)
InChIKeyOLSMJWRQBSTTCW-UHFFFAOYSA-N
XLogP5.90
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.63
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-(dibenzylsulfamoyl)phenyl]-2-oxoethyl]-2-methylphenyl]carbamic acid?
The IUPAC name of [4-[2-[4-(dibenzylsulfamoyl)phenyl]-2-oxoethyl]-2-methylphenyl]carbamic acid (CID 70266385) is [4-[2-[4-(dibenzylsulfamoyl)phenyl]-2-oxoethyl]-2-methylphenyl]carbamic acid.
What is the SMILES notation for [4-[2-[4-(dibenzylsulfamoyl)phenyl]-2-oxoethyl]-2-methylphenyl]carbamic acid?
The canonical SMILES for [4-[2-[4-(dibenzylsulfamoyl)phenyl]-2-oxoethyl]-2-methylphenyl]carbamic acid is Cc1cc(CC(=O)c2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)ccc1NC(=O)O.
What is the InChIKey of [4-[2-[4-(dibenzylsulfamoyl)phenyl]-2-oxoethyl]-2-methylphenyl]carbamic acid?
The InChIKey is OLSMJWRQBSTTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O5S/c1-22-18-25(12-17-28(22)31-30(34)35)19-29(33)26-13-15-27(16-14-26)38(36,37)32(20-23-8-4-2-5-9-23)21-24-10-6-3-7-11-24/h2-18,31H,19-21H2,1H3,(H,34,35).
What are the key properties of [4-[2-[4-(dibenzylsulfamoyl)phenyl]-2-oxoethyl]-2-methylphenyl]carbamic acid?
[4-[2-[4-(dibenzylsulfamoyl)phenyl]-2-oxoethyl]-2-methylphenyl]carbamic acid has a molecular weight of 528.63 g/mol, XLogP of 5.90, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-(dibenzylsulfamoyl)phenyl]-2-oxoethyl]-2-methylphenyl]carbamic acid is sourced from PubChem (CID 70266385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).