1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[3-(sulfamoylmethyl)phenyl]urea

C13H19N5O4S — CID 72931818

IUPAC1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[3-(sulfamoylmethyl)phenyl]urea
SMILESNS(=O)(=O)Cc1cccc(NC(=O)NCCN2CCNC2=O)c1
InChIInChI=1S/C13H19N5O4S/c14-23(21,22)9-10-2-1-3-11(8-10)17-12(19)15-4-6-18-7-5-16-13(18)20/h1-3,8H,4-7,9H2,(H,16,20)(H2,14,21,22)(H2,15,17,19)
InChIKeyUCIDSYDERLTVRG-UHFFFAOYSA-N
MW341.39 g/mol
LogP-0.38
Rot. Bonds6

About 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[3-(sulfamoylmethyl)phenyl]urea

1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[3-(sulfamoylmethyl)phenyl]urea (PubChem CID 72931818) has the molecular formula C13H19N5O4S and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[3-(sulfamoylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[3-(sulfamoylmethyl)phenyl]urea
PubChem CID72931818
Molecular FormulaC13H19N5O4S
Molecular Weight341.39 g/mol
Exact Mass341.12
IUPAC Name1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[3-(sulfamoylmethyl)phenyl]urea
SMILESNS(=O)(=O)Cc1cccc(NC(=O)NCCN2CCNC2=O)c1
InChIInChI=1S/C13H19N5O4S/c14-23(21,22)9-10-2-1-3-11(8-10)17-12(19)15-4-6-18-7-5-16-13(18)20/h1-3,8H,4-7,9H2,(H,16,20)(H2,14,21,22)(H2,15,17,19)
InChIKeyUCIDSYDERLTVRG-UHFFFAOYSA-N
XLogP-0.38
TPSA133.63 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[3-(sulfamoylmethyl)phenyl]urea?
The IUPAC name of 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[3-(sulfamoylmethyl)phenyl]urea (CID 72931818) is 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[3-(sulfamoylmethyl)phenyl]urea.
What is the SMILES notation for 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[3-(sulfamoylmethyl)phenyl]urea?
The canonical SMILES for 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[3-(sulfamoylmethyl)phenyl]urea is NS(=O)(=O)Cc1cccc(NC(=O)NCCN2CCNC2=O)c1.
What is the InChIKey of 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[3-(sulfamoylmethyl)phenyl]urea?
The InChIKey is UCIDSYDERLTVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O4S/c14-23(21,22)9-10-2-1-3-11(8-10)17-12(19)15-4-6-18-7-5-16-13(18)20/h1-3,8H,4-7,9H2,(H,16,20)(H2,14,21,22)(H2,15,17,19).
What are the key properties of 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[3-(sulfamoylmethyl)phenyl]urea?
1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[3-(sulfamoylmethyl)phenyl]urea has a molecular weight of 341.39 g/mol, XLogP of -0.38, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[3-(sulfamoylmethyl)phenyl]urea is sourced from PubChem (CID 72931818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).