3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea

C15H26N4O3S — CID 56782566

IUPAC3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea
SMILESCCN(CC)S(=O)(=O)CCNC(=O)N(C)C(C)c1ccccn1
InChIInChI=1S/C15H26N4O3S/c1-5-19(6-2)23(21,22)12-11-17-15(20)18(4)13(3)14-9-7-8-10-16-14/h7-10,13H,5-6,11-12H2,1-4H3,(H,17,20)
InChIKeyAGXMCBNZWSRNGX-UHFFFAOYSA-N
MW342.47 g/mol
LogP1.46
Rot. Bonds8

About 3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea

3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea (PubChem CID 56782566) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is 3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea
PubChem CID56782566
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC Name3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea
SMILESCCN(CC)S(=O)(=O)CCNC(=O)N(C)C(C)c1ccccn1
InChIInChI=1S/C15H26N4O3S/c1-5-19(6-2)23(21,22)12-11-17-15(20)18(4)13(3)14-9-7-8-10-16-14/h7-10,13H,5-6,11-12H2,1-4H3,(H,17,20)
InChIKeyAGXMCBNZWSRNGX-UHFFFAOYSA-N
XLogP1.46
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea?
The IUPAC name of 3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea (CID 56782566) is 3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea.
What is the SMILES notation for 3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea?
The canonical SMILES for 3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea is CCN(CC)S(=O)(=O)CCNC(=O)N(C)C(C)c1ccccn1.
What is the InChIKey of 3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea?
The InChIKey is AGXMCBNZWSRNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-5-19(6-2)23(21,22)12-11-17-15(20)18(4)13(3)14-9-7-8-10-16-14/h7-10,13H,5-6,11-12H2,1-4H3,(H,17,20).
What are the key properties of 3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea?
3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea has a molecular weight of 342.47 g/mol, XLogP of 1.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea is sourced from PubChem (CID 56782566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).