[4-[[4-(tert-butylsulfamoyl)phenyl]carbamoyl]phenyl] acetate

C19H22N2O5S — CID 1311332

IUPAC[4-[[4-(tert-butylsulfamoyl)phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-13(22)26-16-9-5-14(6-10-16)18(23)20-15-7-11-17(12-8-15)27(24,25)21-19(2,3)4/h5-12,21H,1-4H3,(H,20,23)
InChIKeyITZYIYNVRCNHMH-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.94
Rot. Bonds5

About [4-[[4-(tert-butylsulfamoyl)phenyl]carbamoyl]phenyl] acetate

[4-[[4-(tert-butylsulfamoyl)phenyl]carbamoyl]phenyl] acetate (PubChem CID 1311332) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is [4-[[4-(tert-butylsulfamoyl)phenyl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[[4-(tert-butylsulfamoyl)phenyl]carbamoyl]phenyl] acetate
PubChem CID1311332
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name[4-[[4-(tert-butylsulfamoyl)phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-13(22)26-16-9-5-14(6-10-16)18(23)20-15-7-11-17(12-8-15)27(24,25)21-19(2,3)4/h5-12,21H,1-4H3,(H,20,23)
InChIKeyITZYIYNVRCNHMH-UHFFFAOYSA-N
XLogP2.94
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(tert-butylsulfamoyl)phenyl]-4-pentoxybenzamide
CID 4935093
4-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-diethylbenzamide
CID 34317793
N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 4952231
N-[4-(tert-butylsulfamoyl)phenyl]-3-methoxybenzamide
CID 3387359
S-[4-[[4-(tert-butylsulfamoyl)benzoyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56533146
(4-benzamidophenyl) acetate
CID 34734144
N-(3-acetamido-4-fluorophenyl)-4-(tert-butylsulfamoyl)benzamide
CID 46603735
[4-[[4-[[4-[(4-acetyloxybenzoyl)amino]phenyl]methyl]phenyl]carbamoyl]phenyl] acetate
CID 10324446
[4-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl] acetate
CID 1164288
ethyl (E)-3-[4-[[4-(tert-butylsulfamoyl)benzoyl]amino]phenyl]prop-2-enoate
CID 35893668
N-[4-(tert-butylsulfamoyl)phenyl]-3-iodobenzamide
CID 1213253
4-butoxy-N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 4936615

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(tert-butylsulfamoyl)phenyl]carbamoyl]phenyl] acetate?
The IUPAC name of [4-[[4-(tert-butylsulfamoyl)phenyl]carbamoyl]phenyl] acetate (CID 1311332) is [4-[[4-(tert-butylsulfamoyl)phenyl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [4-[[4-(tert-butylsulfamoyl)phenyl]carbamoyl]phenyl] acetate?
The canonical SMILES for [4-[[4-(tert-butylsulfamoyl)phenyl]carbamoyl]phenyl] acetate is CC(=O)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1.
What is the InChIKey of [4-[[4-(tert-butylsulfamoyl)phenyl]carbamoyl]phenyl] acetate?
The InChIKey is ITZYIYNVRCNHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-13(22)26-16-9-5-14(6-10-16)18(23)20-15-7-11-17(12-8-15)27(24,25)21-19(2,3)4/h5-12,21H,1-4H3,(H,20,23).
What are the key properties of [4-[[4-(tert-butylsulfamoyl)phenyl]carbamoyl]phenyl] acetate?
[4-[[4-(tert-butylsulfamoyl)phenyl]carbamoyl]phenyl] acetate has a molecular weight of 390.46 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(tert-butylsulfamoyl)phenyl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 1311332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).