[4-[4-[(4-methylphenyl)carbamoyloxy]phenyl]sulfonylphenyl] N-(4-methylphenyl)carbamate

C28H24N2O6S — CID 5112420

IUPAC[4-[4-[(4-methylphenyl)carbamoyloxy]phenyl]sulfonylphenyl] N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)Nc4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C28H24N2O6S/c1-19-3-7-21(8-4-19)29-27(31)35-23-11-15-25(16-12-23)37(33,34)26-17-13-24(14-18-26)36-28(32)30-22-9-5-20(2)6-10-22/h3-18H,1-2H3,(H,29,31)(H,30,32)
InChIKeyCOCZWBJQLQMQKM-UHFFFAOYSA-N
MW516.58 g/mol
LogP6.36
Rot. Bonds6

About [4-[4-[(4-methylphenyl)carbamoyloxy]phenyl]sulfonylphenyl] N-(4-methylphenyl)carbamate

[4-[4-[(4-methylphenyl)carbamoyloxy]phenyl]sulfonylphenyl] N-(4-methylphenyl)carbamate (PubChem CID 5112420) has the molecular formula C28H24N2O6S and a molecular weight of 516.58 g/mol. Its IUPAC name is [4-[4-[(4-methylphenyl)carbamoyloxy]phenyl]sulfonylphenyl] N-(4-methylphenyl)carbamate.

Molecular Properties

Compound Name[4-[4-[(4-methylphenyl)carbamoyloxy]phenyl]sulfonylphenyl] N-(4-methylphenyl)carbamate
PubChem CID5112420
Molecular FormulaC28H24N2O6S
Molecular Weight516.58 g/mol
Exact Mass516.14
IUPAC Name[4-[4-[(4-methylphenyl)carbamoyloxy]phenyl]sulfonylphenyl] N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)Nc4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C28H24N2O6S/c1-19-3-7-21(8-4-19)29-27(31)35-23-11-15-25(16-12-23)37(33,34)26-17-13-24(14-18-26)36-28(32)30-22-9-5-20(2)6-10-22/h3-18H,1-2H3,(H,29,31)(H,30,32)
InChIKeyCOCZWBJQLQMQKM-UHFFFAOYSA-N
XLogP6.36
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.58
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

phenyl N-[3-methyl-5-[[4-[4-[[3-methyl-5-(phenoxycarbonylamino)phenyl]carbamoylamino]phenyl]sulfonylphenyl]carbamoylamino]phenyl]carbamate
CID 171042586
1-(4-methylphenyl)sulfonyl-3-[4-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonylphenyl]urea
CID 19387730
[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] acetate
CID 69350721
[4-[[4-(4-methylphenyl)sulfonyloxyphenyl]carbamoylamino]phenyl] 4-methylbenzenesulfonate
CID 142536793
phenyl N-[5-[[4-[4-[[3,3-dimethyl-5-(phenoxycarbonylamino)cyclohepta-1,4,6-trien-1-yl]carbamoylamino]phenyl]sulfonylphenyl]carbamoylamino]-3,3-dimethylcyclohepta-1,4,6-trien-1-yl]carbamate
CID 154949051
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
(4-acetamidophenyl) N-phenylcarbamate
CID 58706000
[4-[[4-[4-[4-[4-[[4-(4-methylphenyl)sulfonyloxyphenyl]carbamoylamino]phenoxy]sulfonylphenyl]phenyl]sulfonyloxyphenyl]carbamoylamino]phenyl] 4-methylbenzenesulfonate
CID 155659696
benzene;1-(4-ethoxyphenyl)sulfonyl-4-methylbenzene;[4-(4-ethoxyphenyl)sulfonylphenyl] methyl carbonate
CID 159893147
N-(4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide
CID 53124608

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(4-methylphenyl)carbamoyloxy]phenyl]sulfonylphenyl] N-(4-methylphenyl)carbamate?
The IUPAC name of [4-[4-[(4-methylphenyl)carbamoyloxy]phenyl]sulfonylphenyl] N-(4-methylphenyl)carbamate (CID 5112420) is [4-[4-[(4-methylphenyl)carbamoyloxy]phenyl]sulfonylphenyl] N-(4-methylphenyl)carbamate.
What is the SMILES notation for [4-[4-[(4-methylphenyl)carbamoyloxy]phenyl]sulfonylphenyl] N-(4-methylphenyl)carbamate?
The canonical SMILES for [4-[4-[(4-methylphenyl)carbamoyloxy]phenyl]sulfonylphenyl] N-(4-methylphenyl)carbamate is Cc1ccc(NC(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)Nc4ccc(C)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-[4-[(4-methylphenyl)carbamoyloxy]phenyl]sulfonylphenyl] N-(4-methylphenyl)carbamate?
The InChIKey is COCZWBJQLQMQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O6S/c1-19-3-7-21(8-4-19)29-27(31)35-23-11-15-25(16-12-23)37(33,34)26-17-13-24(14-18-26)36-28(32)30-22-9-5-20(2)6-10-22/h3-18H,1-2H3,(H,29,31)(H,30,32).
What are the key properties of [4-[4-[(4-methylphenyl)carbamoyloxy]phenyl]sulfonylphenyl] N-(4-methylphenyl)carbamate?
[4-[4-[(4-methylphenyl)carbamoyloxy]phenyl]sulfonylphenyl] N-(4-methylphenyl)carbamate has a molecular weight of 516.58 g/mol, XLogP of 6.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(4-methylphenyl)carbamoyloxy]phenyl]sulfonylphenyl] N-(4-methylphenyl)carbamate is sourced from PubChem (CID 5112420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).