[2-[[4-(dipropylsulfamoyl)phenyl]carbamoyl]phenyl] acetate

C21H26N2O5S — CID 1292592

IUPAC[2-[[4-(dipropylsulfamoyl)phenyl]carbamoyl]phenyl] acetate
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2OC(C)=O)cc1
InChIInChI=1S/C21H26N2O5S/c1-4-14-23(15-5-2)29(26,27)18-12-10-17(11-13-18)22-21(25)19-8-6-7-9-20(19)28-16(3)24/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)
InChIKeyBVDBYYHLFGEQOC-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.67
Rot. Bonds9

About [2-[[4-(dipropylsulfamoyl)phenyl]carbamoyl]phenyl] acetate

[2-[[4-(dipropylsulfamoyl)phenyl]carbamoyl]phenyl] acetate (PubChem CID 1292592) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is [2-[[4-(dipropylsulfamoyl)phenyl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[2-[[4-(dipropylsulfamoyl)phenyl]carbamoyl]phenyl] acetate
PubChem CID1292592
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name[2-[[4-(dipropylsulfamoyl)phenyl]carbamoyl]phenyl] acetate
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2OC(C)=O)cc1
InChIInChI=1S/C21H26N2O5S/c1-4-14-23(15-5-2)29(26,27)18-12-10-17(11-13-18)22-21(25)19-8-6-7-9-20(19)28-16(3)24/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)
InChIKeyBVDBYYHLFGEQOC-UHFFFAOYSA-N
XLogP3.67
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dipropylsulfamoyl)phenyl]-2-propoxybenzamide
CID 4947970
N-[4-(diethylsulfamoyl)phenyl]-2-phenoxybenzamide
CID 1214319
N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17045864
2-butoxy-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 4940978
[2-[[4-(dicyclohexylsulfamoyl)phenyl]carbamoyl]phenyl] acetate
CID 18883681
N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355986
N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 4945998
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 4945399
[2-[(4-iodophenyl)carbamoyl]phenyl] acetate
CID 3361929
N-[4-(dipropylsulfamoyl)phenyl]-3-methyl-2-nitrobenzamide
CID 1307165
N-[4-(dipropylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide
CID 4617041
4-(dipropylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 4012286

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(dipropylsulfamoyl)phenyl]carbamoyl]phenyl] acetate?
The IUPAC name of [2-[[4-(dipropylsulfamoyl)phenyl]carbamoyl]phenyl] acetate (CID 1292592) is [2-[[4-(dipropylsulfamoyl)phenyl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [2-[[4-(dipropylsulfamoyl)phenyl]carbamoyl]phenyl] acetate?
The canonical SMILES for [2-[[4-(dipropylsulfamoyl)phenyl]carbamoyl]phenyl] acetate is CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2OC(C)=O)cc1.
What is the InChIKey of [2-[[4-(dipropylsulfamoyl)phenyl]carbamoyl]phenyl] acetate?
The InChIKey is BVDBYYHLFGEQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-4-14-23(15-5-2)29(26,27)18-12-10-17(11-13-18)22-21(25)19-8-6-7-9-20(19)28-16(3)24/h6-13H,4-5,14-15H2,1-3H3,(H,22,25).
What are the key properties of [2-[[4-(dipropylsulfamoyl)phenyl]carbamoyl]phenyl] acetate?
[2-[[4-(dipropylsulfamoyl)phenyl]carbamoyl]phenyl] acetate has a molecular weight of 418.52 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(dipropylsulfamoyl)phenyl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 1292592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).