[4-[(4-methoxy-2-methylphenyl)carbamoylamino]phenyl] sulfamate

C15H17N3O5S — CID 70692553

IUPAC[4-[(4-methoxy-2-methylphenyl)carbamoylamino]phenyl] sulfamate
SMILESCOc1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C15H17N3O5S/c1-10-9-13(22-2)7-8-14(10)18-15(19)17-11-3-5-12(6-4-11)23-24(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19)
InChIKeyGBCLVBGBUWXYHU-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.23
Rot. Bonds5

About [4-[(4-methoxy-2-methylphenyl)carbamoylamino]phenyl] sulfamate

[4-[(4-methoxy-2-methylphenyl)carbamoylamino]phenyl] sulfamate (PubChem CID 70692553) has the molecular formula C15H17N3O5S and a molecular weight of 351.38 g/mol. Its IUPAC name is [4-[(4-methoxy-2-methylphenyl)carbamoylamino]phenyl] sulfamate.

Molecular Properties

Compound Name[4-[(4-methoxy-2-methylphenyl)carbamoylamino]phenyl] sulfamate
PubChem CID70692553
Molecular FormulaC15H17N3O5S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC Name[4-[(4-methoxy-2-methylphenyl)carbamoylamino]phenyl] sulfamate
SMILESCOc1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C15H17N3O5S/c1-10-9-13(22-2)7-8-14(10)18-15(19)17-11-3-5-12(6-4-11)23-24(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19)
InChIKeyGBCLVBGBUWXYHU-UHFFFAOYSA-N
XLogP2.23
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxy-2-methylphenyl)carbamoylamino]phenyl] sulfamate?
The IUPAC name of [4-[(4-methoxy-2-methylphenyl)carbamoylamino]phenyl] sulfamate (CID 70692553) is [4-[(4-methoxy-2-methylphenyl)carbamoylamino]phenyl] sulfamate.
What is the SMILES notation for [4-[(4-methoxy-2-methylphenyl)carbamoylamino]phenyl] sulfamate?
The canonical SMILES for [4-[(4-methoxy-2-methylphenyl)carbamoylamino]phenyl] sulfamate is COc1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c(C)c1.
What is the InChIKey of [4-[(4-methoxy-2-methylphenyl)carbamoylamino]phenyl] sulfamate?
The InChIKey is GBCLVBGBUWXYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S/c1-10-9-13(22-2)7-8-14(10)18-15(19)17-11-3-5-12(6-4-11)23-24(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19).
What are the key properties of [4-[(4-methoxy-2-methylphenyl)carbamoylamino]phenyl] sulfamate?
[4-[(4-methoxy-2-methylphenyl)carbamoylamino]phenyl] sulfamate has a molecular weight of 351.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxy-2-methylphenyl)carbamoylamino]phenyl] sulfamate is sourced from PubChem (CID 70692553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).