1-[4-(propylsulfamoyl)phenyl]-3-[2-(1,3-thiazol-2-yl)ethyl]urea

C15H20N4O3S2 — CID 72860832

IUPAC1-[4-(propylsulfamoyl)phenyl]-3-[2-(1,3-thiazol-2-yl)ethyl]urea
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)NCCc2nccs2)cc1
InChIInChI=1S/C15H20N4O3S2/c1-2-8-18-24(21,22)13-5-3-12(4-6-13)19-15(20)17-9-7-14-16-10-11-23-14/h3-6,10-11,18H,2,7-9H2,1H3,(H2,17,19,20)
InChIKeyLEOPITUCQQBZEX-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.20
Rot. Bonds8

About 1-[4-(propylsulfamoyl)phenyl]-3-[2-(1,3-thiazol-2-yl)ethyl]urea

1-[4-(propylsulfamoyl)phenyl]-3-[2-(1,3-thiazol-2-yl)ethyl]urea (PubChem CID 72860832) has the molecular formula C15H20N4O3S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[4-(propylsulfamoyl)phenyl]-3-[2-(1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[4-(propylsulfamoyl)phenyl]-3-[2-(1,3-thiazol-2-yl)ethyl]urea
PubChem CID72860832
Molecular FormulaC15H20N4O3S2
Molecular Weight368.48 g/mol
Exact Mass368.10
IUPAC Name1-[4-(propylsulfamoyl)phenyl]-3-[2-(1,3-thiazol-2-yl)ethyl]urea
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)NCCc2nccs2)cc1
InChIInChI=1S/C15H20N4O3S2/c1-2-8-18-24(21,22)13-5-3-12(4-6-13)19-15(20)17-9-7-14-16-10-11-23-14/h3-6,10-11,18H,2,7-9H2,1H3,(H2,17,19,20)
InChIKeyLEOPITUCQQBZEX-UHFFFAOYSA-N
XLogP2.20
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(propylsulfamoyl)phenyl]-3-[2-(1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-[4-(propylsulfamoyl)phenyl]-3-[2-(1,3-thiazol-2-yl)ethyl]urea (CID 72860832) is 1-[4-(propylsulfamoyl)phenyl]-3-[2-(1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-[4-(propylsulfamoyl)phenyl]-3-[2-(1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-[4-(propylsulfamoyl)phenyl]-3-[2-(1,3-thiazol-2-yl)ethyl]urea is CCCNS(=O)(=O)c1ccc(NC(=O)NCCc2nccs2)cc1.
What is the InChIKey of 1-[4-(propylsulfamoyl)phenyl]-3-[2-(1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is LEOPITUCQQBZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S2/c1-2-8-18-24(21,22)13-5-3-12(4-6-13)19-15(20)17-9-7-14-16-10-11-23-14/h3-6,10-11,18H,2,7-9H2,1H3,(H2,17,19,20).
What are the key properties of 1-[4-(propylsulfamoyl)phenyl]-3-[2-(1,3-thiazol-2-yl)ethyl]urea?
1-[4-(propylsulfamoyl)phenyl]-3-[2-(1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 368.48 g/mol, XLogP of 2.20, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(propylsulfamoyl)phenyl]-3-[2-(1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 72860832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).