[4-[(4-phenylmethoxyphenyl)carbamoylamino]phenyl] sulfamate

C20H19N3O5S — CID 70692554

IUPAC[4-[(4-phenylmethoxyphenyl)carbamoylamino]phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C20H19N3O5S/c21-29(25,26)28-19-12-8-17(9-13-19)23-20(24)22-16-6-10-18(11-7-16)27-14-15-4-2-1-3-5-15/h1-13H,14H2,(H2,21,25,26)(H2,22,23,24)
InChIKeyXIWDINBVTQFNPR-UHFFFAOYSA-N
MW413.46 g/mol
LogP3.49
Rot. Bonds7

About [4-[(4-phenylmethoxyphenyl)carbamoylamino]phenyl] sulfamate

[4-[(4-phenylmethoxyphenyl)carbamoylamino]phenyl] sulfamate (PubChem CID 70692554) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is [4-[(4-phenylmethoxyphenyl)carbamoylamino]phenyl] sulfamate.

Molecular Properties

Compound Name[4-[(4-phenylmethoxyphenyl)carbamoylamino]phenyl] sulfamate
PubChem CID70692554
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC Name[4-[(4-phenylmethoxyphenyl)carbamoylamino]phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C20H19N3O5S/c21-29(25,26)28-19-12-8-17(9-13-19)23-20(24)22-16-6-10-18(11-7-16)27-14-15-4-2-1-3-5-15/h1-13H,14H2,(H2,21,25,26)(H2,22,23,24)
InChIKeyXIWDINBVTQFNPR-UHFFFAOYSA-N
XLogP3.49
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-phenylmethoxyphenyl)carbamoylamino]phenyl] sulfamate?
The IUPAC name of [4-[(4-phenylmethoxyphenyl)carbamoylamino]phenyl] sulfamate (CID 70692554) is [4-[(4-phenylmethoxyphenyl)carbamoylamino]phenyl] sulfamate.
What is the SMILES notation for [4-[(4-phenylmethoxyphenyl)carbamoylamino]phenyl] sulfamate?
The canonical SMILES for [4-[(4-phenylmethoxyphenyl)carbamoylamino]phenyl] sulfamate is NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of [4-[(4-phenylmethoxyphenyl)carbamoylamino]phenyl] sulfamate?
The InChIKey is XIWDINBVTQFNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S/c21-29(25,26)28-19-12-8-17(9-13-19)23-20(24)22-16-6-10-18(11-7-16)27-14-15-4-2-1-3-5-15/h1-13H,14H2,(H2,21,25,26)(H2,22,23,24).
What are the key properties of [4-[(4-phenylmethoxyphenyl)carbamoylamino]phenyl] sulfamate?
[4-[(4-phenylmethoxyphenyl)carbamoylamino]phenyl] sulfamate has a molecular weight of 413.46 g/mol, XLogP of 3.49, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-phenylmethoxyphenyl)carbamoylamino]phenyl] sulfamate is sourced from PubChem (CID 70692554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).