1-(2-ethylsulfonylethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea

C12H20N2O3S2 — CID 71933688

IUPAC1-(2-ethylsulfonylethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea
SMILESCCS(=O)(=O)CCNC(=O)NC(C)c1ccc(C)s1
InChIInChI=1S/C12H20N2O3S2/c1-4-19(16,17)8-7-13-12(15)14-10(3)11-6-5-9(2)18-11/h5-6,10H,4,7-8H2,1-3H3,(H2,13,14,15)
InChIKeyGBUZEWAOCVTMIP-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.85
Rot. Bonds6

About 1-(2-ethylsulfonylethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea

1-(2-ethylsulfonylethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea (PubChem CID 71933688) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-(2-ethylsulfonylethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-ethylsulfonylethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea
PubChem CID71933688
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name1-(2-ethylsulfonylethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea
SMILESCCS(=O)(=O)CCNC(=O)NC(C)c1ccc(C)s1
InChIInChI=1S/C12H20N2O3S2/c1-4-19(16,17)8-7-13-12(15)14-10(3)11-6-5-9(2)18-11/h5-6,10H,4,7-8H2,1-3H3,(H2,13,14,15)
InChIKeyGBUZEWAOCVTMIP-UHFFFAOYSA-N
XLogP1.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-ethylsulfonylethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea?
The IUPAC name of 1-(2-ethylsulfonylethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea (CID 71933688) is 1-(2-ethylsulfonylethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea.
What is the SMILES notation for 1-(2-ethylsulfonylethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea?
The canonical SMILES for 1-(2-ethylsulfonylethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea is CCS(=O)(=O)CCNC(=O)NC(C)c1ccc(C)s1.
What is the InChIKey of 1-(2-ethylsulfonylethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea?
The InChIKey is GBUZEWAOCVTMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-4-19(16,17)8-7-13-12(15)14-10(3)11-6-5-9(2)18-11/h5-6,10H,4,7-8H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-(2-ethylsulfonylethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea?
1-(2-ethylsulfonylethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea has a molecular weight of 304.44 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea is sourced from PubChem (CID 71933688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).