[4-[4-(dimethylcarbamoyloxy)phenyl]sulfanylphenyl] N,N-dimethylcarbamate

C18H20N2O4S — CID 124927615

IUPAC[4-[4-(dimethylcarbamoyloxy)phenyl]sulfanylphenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc(Sc2ccc(OC(=O)N(C)C)cc2)cc1
InChIInChI=1S/C18H20N2O4S/c1-19(2)17(21)23-13-5-9-15(10-6-13)25-16-11-7-14(8-12-16)24-18(22)20(3)4/h5-12H,1-4H3
InChIKeyRRCQLDWJRDJXIP-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.96
Rot. Bonds4

About [4-[4-(dimethylcarbamoyloxy)phenyl]sulfanylphenyl] N,N-dimethylcarbamate

[4-[4-(dimethylcarbamoyloxy)phenyl]sulfanylphenyl] N,N-dimethylcarbamate (PubChem CID 124927615) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is [4-[4-(dimethylcarbamoyloxy)phenyl]sulfanylphenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[4-[4-(dimethylcarbamoyloxy)phenyl]sulfanylphenyl] N,N-dimethylcarbamate
PubChem CID124927615
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name[4-[4-(dimethylcarbamoyloxy)phenyl]sulfanylphenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc(Sc2ccc(OC(=O)N(C)C)cc2)cc1
InChIInChI=1S/C18H20N2O4S/c1-19(2)17(21)23-13-5-9-15(10-6-13)25-16-11-7-14(8-12-16)24-18(22)20(3)4/h5-12H,1-4H3
InChIKeyRRCQLDWJRDJXIP-UHFFFAOYSA-N
XLogP3.96
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[4-(dimethylcarbamoyloxy)phenyl]sulfanylphenyl] N,N-dimethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[4-(dimethylcarbamoyloxy)phenyl]sulfanylphenyl] N,N-dimethylcarbamate?
The IUPAC name of [4-[4-(dimethylcarbamoyloxy)phenyl]sulfanylphenyl] N,N-dimethylcarbamate (CID 124927615) is [4-[4-(dimethylcarbamoyloxy)phenyl]sulfanylphenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [4-[4-(dimethylcarbamoyloxy)phenyl]sulfanylphenyl] N,N-dimethylcarbamate?
The canonical SMILES for [4-[4-(dimethylcarbamoyloxy)phenyl]sulfanylphenyl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1ccc(Sc2ccc(OC(=O)N(C)C)cc2)cc1.
What is the InChIKey of [4-[4-(dimethylcarbamoyloxy)phenyl]sulfanylphenyl] N,N-dimethylcarbamate?
The InChIKey is RRCQLDWJRDJXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-19(2)17(21)23-13-5-9-15(10-6-13)25-16-11-7-14(8-12-16)24-18(22)20(3)4/h5-12H,1-4H3.
What are the key properties of [4-[4-(dimethylcarbamoyloxy)phenyl]sulfanylphenyl] N,N-dimethylcarbamate?
[4-[4-(dimethylcarbamoyloxy)phenyl]sulfanylphenyl] N,N-dimethylcarbamate has a molecular weight of 360.44 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(dimethylcarbamoyloxy)phenyl]sulfanylphenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 124927615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).