1-hydroxy-1-[1-[5-(2-phenylethenyl)thiophen-2-yl]ethyl]urea

C15H16N2O2S — CID 23732148

IUPAC1-hydroxy-1-[1-[5-(2-phenylethenyl)thiophen-2-yl]ethyl]urea
SMILESCC(c1ccc(C=Cc2ccccc2)s1)N(O)C(N)=O
InChIInChI=1S/C15H16N2O2S/c1-11(17(19)15(16)18)14-10-9-13(20-14)8-7-12-5-3-2-4-6-12/h2-11,19H,1H3,(H2,16,18)
InChIKeyRZLWAGKCLWKSNW-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.75
Rot. Bonds4

About 1-hydroxy-1-[1-[5-(2-phenylethenyl)thiophen-2-yl]ethyl]urea

1-hydroxy-1-[1-[5-(2-phenylethenyl)thiophen-2-yl]ethyl]urea (PubChem CID 23732148) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-hydroxy-1-[1-[5-(2-phenylethenyl)thiophen-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[1-[5-(2-phenylethenyl)thiophen-2-yl]ethyl]urea
PubChem CID23732148
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name1-hydroxy-1-[1-[5-(2-phenylethenyl)thiophen-2-yl]ethyl]urea
SMILESCC(c1ccc(C=Cc2ccccc2)s1)N(O)C(N)=O
InChIInChI=1S/C15H16N2O2S/c1-11(17(19)15(16)18)14-10-9-13(20-14)8-7-12-5-3-2-4-6-12/h2-11,19H,1H3,(H2,16,18)
InChIKeyRZLWAGKCLWKSNW-UHFFFAOYSA-N
XLogP3.75
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Zileuton
CID 60490
Zileuton, (S)-
CID 10220327
N-[1-(1-benzothien-2-yl)ethyl]-N-hydroxy-N''-methylurea
CID 9878198
N-[1-(1-benzothien-2-yl)ethyl]-N-hydroxy-N'',N''-dimethylurea
CID 9899979
N-[1-(5-fluoro-1-benzothien-2-yl)ethyl]-N-hydroxyurea
CID 9921313
N'-carbamoyl-N-hydroxy-N-[1-(benzo[b]thien-2-yl)ethyl]urea
CID 10516789
N''-[1-(1-benzothien-2-yl)ethyl]-N-hydroxy-N-methylurea
CID 10562635
N-[1-(5-benzylthien-2-yl)ethyl]-N-hydroxyurea
CID 10660093
1-[1-(1-Benzothiophen-2-YL)ethyl]-3-ethyl-1-hydroxyurea
CID 10706745
N-hydroxy-N-{[3-(phenylthio)thien-2-yl]methyl}urea
CID 10707895
N-hydroxy-N-[1-(5-methylthien-2-yl)ethyl]urea
CID 10798098
N-hydroxy-N-[1-(5-phenylthien-2-yl)ethyl]urea
CID 10801450

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[1-[5-(2-phenylethenyl)thiophen-2-yl]ethyl]urea?
The IUPAC name of 1-hydroxy-1-[1-[5-(2-phenylethenyl)thiophen-2-yl]ethyl]urea (CID 23732148) is 1-hydroxy-1-[1-[5-(2-phenylethenyl)thiophen-2-yl]ethyl]urea.
What is the SMILES notation for 1-hydroxy-1-[1-[5-(2-phenylethenyl)thiophen-2-yl]ethyl]urea?
The canonical SMILES for 1-hydroxy-1-[1-[5-(2-phenylethenyl)thiophen-2-yl]ethyl]urea is CC(c1ccc(C=Cc2ccccc2)s1)N(O)C(N)=O.
What is the InChIKey of 1-hydroxy-1-[1-[5-(2-phenylethenyl)thiophen-2-yl]ethyl]urea?
The InChIKey is RZLWAGKCLWKSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-11(17(19)15(16)18)14-10-9-13(20-14)8-7-12-5-3-2-4-6-12/h2-11,19H,1H3,(H2,16,18).
What are the key properties of 1-hydroxy-1-[1-[5-(2-phenylethenyl)thiophen-2-yl]ethyl]urea?
1-hydroxy-1-[1-[5-(2-phenylethenyl)thiophen-2-yl]ethyl]urea has a molecular weight of 288.37 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[1-[5-(2-phenylethenyl)thiophen-2-yl]ethyl]urea is sourced from PubChem (CID 23732148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).