1-(4-tert-butylphenyl)-3-(3-hydroxy-3-thiophen-2-ylpropyl)urea

C18H24N2O2S — CID 71787902

IUPAC1-(4-tert-butylphenyl)-3-(3-hydroxy-3-thiophen-2-ylpropyl)urea
SMILESCC(C)(C)c1ccc(NC(=O)NCCC(O)c2cccs2)cc1
InChIInChI=1S/C18H24N2O2S/c1-18(2,3)13-6-8-14(9-7-13)20-17(22)19-11-10-15(21)16-5-4-12-23-16/h4-9,12,15,21H,10-11H2,1-3H3,(H2,19,20,22)
InChIKeyXLUGFHAGWJCYGJ-UHFFFAOYSA-N
MW332.47 g/mol
LogP4.29
Rot. Bonds5

About 1-(4-tert-butylphenyl)-3-(3-hydroxy-3-thiophen-2-ylpropyl)urea

1-(4-tert-butylphenyl)-3-(3-hydroxy-3-thiophen-2-ylpropyl)urea (PubChem CID 71787902) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-(3-hydroxy-3-thiophen-2-ylpropyl)urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-(3-hydroxy-3-thiophen-2-ylpropyl)urea
PubChem CID71787902
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name1-(4-tert-butylphenyl)-3-(3-hydroxy-3-thiophen-2-ylpropyl)urea
SMILESCC(C)(C)c1ccc(NC(=O)NCCC(O)c2cccs2)cc1
InChIInChI=1S/C18H24N2O2S/c1-18(2,3)13-6-8-14(9-7-13)20-17(22)19-11-10-15(21)16-5-4-12-23-16/h4-9,12,15,21H,10-11H2,1-3H3,(H2,19,20,22)
InChIKeyXLUGFHAGWJCYGJ-UHFFFAOYSA-N
XLogP4.29
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-(3-hydroxy-3-thiophen-2-ylpropyl)urea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-(3-hydroxy-3-thiophen-2-ylpropyl)urea (CID 71787902) is 1-(4-tert-butylphenyl)-3-(3-hydroxy-3-thiophen-2-ylpropyl)urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-(3-hydroxy-3-thiophen-2-ylpropyl)urea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-(3-hydroxy-3-thiophen-2-ylpropyl)urea is CC(C)(C)c1ccc(NC(=O)NCCC(O)c2cccs2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-(3-hydroxy-3-thiophen-2-ylpropyl)urea?
The InChIKey is XLUGFHAGWJCYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-18(2,3)13-6-8-14(9-7-13)20-17(22)19-11-10-15(21)16-5-4-12-23-16/h4-9,12,15,21H,10-11H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-(4-tert-butylphenyl)-3-(3-hydroxy-3-thiophen-2-ylpropyl)urea?
1-(4-tert-butylphenyl)-3-(3-hydroxy-3-thiophen-2-ylpropyl)urea has a molecular weight of 332.47 g/mol, XLogP of 4.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-(3-hydroxy-3-thiophen-2-ylpropyl)urea is sourced from PubChem (CID 71787902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).