[4-[(2-ethoxyphenyl)carbamoylamino]phenyl] sulfamate

C15H17N3O5S — CID 70696644

IUPAC[4-[(2-ethoxyphenyl)carbamoylamino]phenyl] sulfamate
SMILESCCOc1ccccc1NC(=O)Nc1ccc(OS(N)(=O)=O)cc1
InChIInChI=1S/C15H17N3O5S/c1-2-22-14-6-4-3-5-13(14)18-15(19)17-11-7-9-12(10-8-11)23-24(16,20)21/h3-10H,2H2,1H3,(H2,16,20,21)(H2,17,18,19)
InChIKeyTVOOLZYASKFLSY-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.31
Rot. Bonds6

About [4-[(2-ethoxyphenyl)carbamoylamino]phenyl] sulfamate

[4-[(2-ethoxyphenyl)carbamoylamino]phenyl] sulfamate (PubChem CID 70696644) has the molecular formula C15H17N3O5S and a molecular weight of 351.38 g/mol. Its IUPAC name is [4-[(2-ethoxyphenyl)carbamoylamino]phenyl] sulfamate.

Molecular Properties

Compound Name[4-[(2-ethoxyphenyl)carbamoylamino]phenyl] sulfamate
PubChem CID70696644
Molecular FormulaC15H17N3O5S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC Name[4-[(2-ethoxyphenyl)carbamoylamino]phenyl] sulfamate
SMILESCCOc1ccccc1NC(=O)Nc1ccc(OS(N)(=O)=O)cc1
InChIInChI=1S/C15H17N3O5S/c1-2-22-14-6-4-3-5-13(14)18-15(19)17-11-7-9-12(10-8-11)23-24(16,20)21/h3-10H,2H2,1H3,(H2,16,20,21)(H2,17,18,19)
InChIKeyTVOOLZYASKFLSY-UHFFFAOYSA-N
XLogP2.31
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-ethoxyphenyl)carbamoylamino]phenyl] sulfamate?
The IUPAC name of [4-[(2-ethoxyphenyl)carbamoylamino]phenyl] sulfamate (CID 70696644) is [4-[(2-ethoxyphenyl)carbamoylamino]phenyl] sulfamate.
What is the SMILES notation for [4-[(2-ethoxyphenyl)carbamoylamino]phenyl] sulfamate?
The canonical SMILES for [4-[(2-ethoxyphenyl)carbamoylamino]phenyl] sulfamate is CCOc1ccccc1NC(=O)Nc1ccc(OS(N)(=O)=O)cc1.
What is the InChIKey of [4-[(2-ethoxyphenyl)carbamoylamino]phenyl] sulfamate?
The InChIKey is TVOOLZYASKFLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S/c1-2-22-14-6-4-3-5-13(14)18-15(19)17-11-7-9-12(10-8-11)23-24(16,20)21/h3-10H,2H2,1H3,(H2,16,20,21)(H2,17,18,19).
What are the key properties of [4-[(2-ethoxyphenyl)carbamoylamino]phenyl] sulfamate?
[4-[(2-ethoxyphenyl)carbamoylamino]phenyl] sulfamate has a molecular weight of 351.38 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-ethoxyphenyl)carbamoylamino]phenyl] sulfamate is sourced from PubChem (CID 70696644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).