[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] acetate

C16H16N2O5S — CID 69350721

IUPAC[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] acetate
SMILESCC(=O)Oc1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H16N2O5S/c1-11-3-9-15(10-4-11)24(21,22)18-16(20)17-13-5-7-14(8-6-13)23-12(2)19/h3-10H,1-2H3,(H2,17,18,20)
InChIKeyVEUGGFAQEDCOTK-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.43
Rot. Bonds4

About [4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] acetate

[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] acetate (PubChem CID 69350721) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is [4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] acetate.

Molecular Properties

Compound Name[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] acetate
PubChem CID69350721
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Name[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] acetate
SMILESCC(=O)Oc1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H16N2O5S/c1-11-3-9-15(10-4-11)24(21,22)18-16(20)17-13-5-7-14(8-6-13)23-12(2)19/h3-10H,1-2H3,(H2,17,18,20)
InChIKeyVEUGGFAQEDCOTK-UHFFFAOYSA-N
XLogP2.43
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.43
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

1-(4-methylphenyl)sulfonyl-3-[4-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonylphenyl]urea
CID 19387730
1-(4-methylphenyl)sulfonyl-3-[4-[3-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenoxy]propoxy]phenyl]urea
CID 139757137
1-(4-hydroxyphenyl)-3-(4-methylphenyl)sulfonylurea
CID 5268819
1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
CID 53343755
phenyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzenesulfonate
CID 22564943
1-(4-methylphenyl)sulfonyl-3-(4-nitrophenyl)urea
CID 4604602
[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl] acetate
CID 177425846
1-(4-methoxy-3-methylphenyl)-3-(4-methylphenyl)sulfonylurea
CID 110774458
1-(4-butylphenyl)-3-(4-methylphenyl)sulfonylurea
CID 3515825
1-(4-methylphenyl)sulfonyl-3-(2-oxobenzimidazol-5-yl)urea
CID 78269792
1-(4-bromo-3-methylphenyl)-3-(4-methylphenyl)sulfonylurea
CID 2375417
1-[4-[[2,4-bis[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]methyl]phenyl]-3-(4-methylphenyl)sulfonylurea
CID 19607119

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] acetate?
The IUPAC name of [4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] acetate (CID 69350721) is [4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] acetate.
What is the SMILES notation for [4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] acetate?
The canonical SMILES for [4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] acetate is CC(=O)Oc1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of [4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] acetate?
The InChIKey is VEUGGFAQEDCOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-11-3-9-15(10-4-11)24(21,22)18-16(20)17-13-5-7-14(8-6-13)23-12(2)19/h3-10H,1-2H3,(H2,17,18,20).
What are the key properties of [4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] acetate?
[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] acetate has a molecular weight of 348.38 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] acetate is sourced from PubChem (CID 69350721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).