1-[4-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea

C17H22N4O3S — CID 66611017

IUPAC1-[4-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C17H22N4O3S/c1-3-21(4-2)25(23,24)16-9-7-15(8-10-16)20-17(22)19-13-14-6-5-11-18-12-14/h5-12H,3-4,13H2,1-2H3,(H2,19,20,22)
InChIKeyGFCMEJVHKUNFLP-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.43
Rot. Bonds7

About 1-[4-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea

1-[4-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 66611017) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 1-[4-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID66611017
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name1-[4-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C17H22N4O3S/c1-3-21(4-2)25(23,24)16-9-7-15(8-10-16)20-17(22)19-13-14-6-5-11-18-12-14/h5-12H,3-4,13H2,1-2H3,(H2,19,20,22)
InChIKeyGFCMEJVHKUNFLP-UHFFFAOYSA-N
XLogP2.43
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[4-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea (CID 66611017) is 1-[4-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[4-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[4-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea is CCN(CC)S(=O)(=O)c1ccc(NC(=O)NCc2cccnc2)cc1.
What is the InChIKey of 1-[4-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is GFCMEJVHKUNFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-3-21(4-2)25(23,24)16-9-7-15(8-10-16)20-17(22)19-13-14-6-5-11-18-12-14/h5-12H,3-4,13H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[4-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea?
1-[4-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 362.46 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 66611017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).