[4-(2-naphthalen-1-ylethylcarbamoylamino)phenyl] sulfamate

C19H19N3O4S — CID 70688364

IUPAC[4-(2-naphthalen-1-ylethylcarbamoylamino)phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(NC(=O)NCCc2cccc3ccccc23)cc1
InChIInChI=1S/C19H19N3O4S/c20-27(24,25)26-17-10-8-16(9-11-17)22-19(23)21-13-12-15-6-3-5-14-4-1-2-7-18(14)15/h1-11H,12-13H2,(H2,20,24,25)(H2,21,22,23)
InChIKeyDSHOYDPDINYHJS-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.79
Rot. Bonds6

About [4-(2-naphthalen-1-ylethylcarbamoylamino)phenyl] sulfamate

[4-(2-naphthalen-1-ylethylcarbamoylamino)phenyl] sulfamate (PubChem CID 70688364) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is [4-(2-naphthalen-1-ylethylcarbamoylamino)phenyl] sulfamate.

Molecular Properties

Compound Name[4-(2-naphthalen-1-ylethylcarbamoylamino)phenyl] sulfamate
PubChem CID70688364
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name[4-(2-naphthalen-1-ylethylcarbamoylamino)phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(NC(=O)NCCc2cccc3ccccc23)cc1
InChIInChI=1S/C19H19N3O4S/c20-27(24,25)26-17-10-8-16(9-11-17)22-19(23)21-13-12-15-6-3-5-14-4-1-2-7-18(14)15/h1-11H,12-13H2,(H2,20,24,25)(H2,21,22,23)
InChIKeyDSHOYDPDINYHJS-UHFFFAOYSA-N
XLogP2.79
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-naphthalen-1-ylethylcarbamoylamino)phenyl] sulfamate?
The IUPAC name of [4-(2-naphthalen-1-ylethylcarbamoylamino)phenyl] sulfamate (CID 70688364) is [4-(2-naphthalen-1-ylethylcarbamoylamino)phenyl] sulfamate.
What is the SMILES notation for [4-(2-naphthalen-1-ylethylcarbamoylamino)phenyl] sulfamate?
The canonical SMILES for [4-(2-naphthalen-1-ylethylcarbamoylamino)phenyl] sulfamate is NS(=O)(=O)Oc1ccc(NC(=O)NCCc2cccc3ccccc23)cc1.
What is the InChIKey of [4-(2-naphthalen-1-ylethylcarbamoylamino)phenyl] sulfamate?
The InChIKey is DSHOYDPDINYHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c20-27(24,25)26-17-10-8-16(9-11-17)22-19(23)21-13-12-15-6-3-5-14-4-1-2-7-18(14)15/h1-11H,12-13H2,(H2,20,24,25)(H2,21,22,23).
What are the key properties of [4-(2-naphthalen-1-ylethylcarbamoylamino)phenyl] sulfamate?
[4-(2-naphthalen-1-ylethylcarbamoylamino)phenyl] sulfamate has a molecular weight of 385.45 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-naphthalen-1-ylethylcarbamoylamino)phenyl] sulfamate is sourced from PubChem (CID 70688364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).