1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea

C13H22N2O2S — CID 111441023

IUPAC1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
SMILESCCC(CC)CNC(=O)NCC(O)c1ccsc1
InChIInChI=1S/C13H22N2O2S/c1-3-10(4-2)7-14-13(17)15-8-12(16)11-5-6-18-9-11/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3,(H2,14,15,17)
InChIKeyLUBBOQITGYFSTO-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.52
Rot. Bonds7

About 1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea

1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea (PubChem CID 111441023) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea.

Molecular Properties

Compound Name1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
PubChem CID111441023
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
SMILESCCC(CC)CNC(=O)NCC(O)c1ccsc1
InChIInChI=1S/C13H22N2O2S/c1-3-10(4-2)7-14-13(17)15-8-12(16)11-5-6-18-9-11/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3,(H2,14,15,17)
InChIKeyLUBBOQITGYFSTO-UHFFFAOYSA-N
XLogP2.52
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea
CID 103686059
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide
CID 90496631
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(4-methylsulfanylbutyl)urea
CID 111441096
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate
CID 106434937
4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 90496459
2-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103771707
2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylbutanamide
CID 106435414
1-(3-ethylphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111442955
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)propanamide
CID 106435392
1-(4-fluorophenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 90496696
1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(1R)-1-(2-methoxyphenyl)propyl]urea
CID 97215552

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
The IUPAC name of 1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea (CID 111441023) is 1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea.
What is the SMILES notation for 1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
The canonical SMILES for 1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea is CCC(CC)CNC(=O)NCC(O)c1ccsc1.
What is the InChIKey of 1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
The InChIKey is LUBBOQITGYFSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-3-10(4-2)7-14-13(17)15-8-12(16)11-5-6-18-9-11/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3,(H2,14,15,17).
What are the key properties of 1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea has a molecular weight of 270.40 g/mol, XLogP of 2.52, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea is sourced from PubChem (CID 111441023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).