2-[2-(diethylsulfamoylamino)ethyl]-1-methoxy-4-methylbenzene

C14H24N2O3S — CID 31079146

IUPAC2-[2-(diethylsulfamoylamino)ethyl]-1-methoxy-4-methylbenzene
SMILESCCN(CC)S(=O)(=O)NCCc1cc(C)ccc1OC
InChIInChI=1S/C14H24N2O3S/c1-5-16(6-2)20(17,18)15-10-9-13-11-12(3)7-8-14(13)19-4/h7-8,11,15H,5-6,9-10H2,1-4H3
InChIKeyRJPFPNFHWGUZOK-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.72
Rot. Bonds8

About 2-[2-(diethylsulfamoylamino)ethyl]-1-methoxy-4-methylbenzene

2-[2-(diethylsulfamoylamino)ethyl]-1-methoxy-4-methylbenzene (PubChem CID 31079146) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 2-[2-(diethylsulfamoylamino)ethyl]-1-methoxy-4-methylbenzene.

Molecular Properties

Compound Name2-[2-(diethylsulfamoylamino)ethyl]-1-methoxy-4-methylbenzene
PubChem CID31079146
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name2-[2-(diethylsulfamoylamino)ethyl]-1-methoxy-4-methylbenzene
SMILESCCN(CC)S(=O)(=O)NCCc1cc(C)ccc1OC
InChIInChI=1S/C14H24N2O3S/c1-5-16(6-2)20(17,18)15-10-9-13-11-12(3)7-8-14(13)19-4/h7-8,11,15H,5-6,9-10H2,1-4H3
InChIKeyRJPFPNFHWGUZOK-UHFFFAOYSA-N
XLogP1.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylsulfamoylamino)ethyl]-1-methoxy-4-methylbenzene?
The IUPAC name of 2-[2-(diethylsulfamoylamino)ethyl]-1-methoxy-4-methylbenzene (CID 31079146) is 2-[2-(diethylsulfamoylamino)ethyl]-1-methoxy-4-methylbenzene.
What is the SMILES notation for 2-[2-(diethylsulfamoylamino)ethyl]-1-methoxy-4-methylbenzene?
The canonical SMILES for 2-[2-(diethylsulfamoylamino)ethyl]-1-methoxy-4-methylbenzene is CCN(CC)S(=O)(=O)NCCc1cc(C)ccc1OC.
What is the InChIKey of 2-[2-(diethylsulfamoylamino)ethyl]-1-methoxy-4-methylbenzene?
The InChIKey is RJPFPNFHWGUZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-5-16(6-2)20(17,18)15-10-9-13-11-12(3)7-8-14(13)19-4/h7-8,11,15H,5-6,9-10H2,1-4H3.
What are the key properties of 2-[2-(diethylsulfamoylamino)ethyl]-1-methoxy-4-methylbenzene?
2-[2-(diethylsulfamoylamino)ethyl]-1-methoxy-4-methylbenzene has a molecular weight of 300.42 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylsulfamoylamino)ethyl]-1-methoxy-4-methylbenzene is sourced from PubChem (CID 31079146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).