1-[1-(5-benzylthiophen-2-yl)ethyl]-1-hydroxyurea

C14H16N2O2S — CID 10660093

IUPAC1-[1-(5-benzylthiophen-2-yl)ethyl]-1-hydroxyurea
SMILESCC(c1ccc(Cc2ccccc2)s1)N(O)C(N)=O
InChIInChI=1S/C14H16N2O2S/c1-10(16(18)14(15)17)13-8-7-12(19-13)9-11-5-3-2-4-6-11/h2-8,10,18H,9H2,1H3,(H2,15,17)
InChIKeyVXOVZBJZWNRIDO-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.17
Rot. Bonds4

About 1-[1-(5-benzylthiophen-2-yl)ethyl]-1-hydroxyurea

1-[1-(5-benzylthiophen-2-yl)ethyl]-1-hydroxyurea (PubChem CID 10660093) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-[1-(5-benzylthiophen-2-yl)ethyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[1-(5-benzylthiophen-2-yl)ethyl]-1-hydroxyurea
PubChem CID10660093
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name1-[1-(5-benzylthiophen-2-yl)ethyl]-1-hydroxyurea
SMILESCC(c1ccc(Cc2ccccc2)s1)N(O)C(N)=O
InChIInChI=1S/C14H16N2O2S/c1-10(16(18)14(15)17)13-8-7-12(19-13)9-11-5-3-2-4-6-11/h2-8,10,18H,9H2,1H3,(H2,15,17)
InChIKeyVXOVZBJZWNRIDO-UHFFFAOYSA-N
XLogP3.17
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.17
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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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-benzylthiophen-2-yl)ethyl]-1-hydroxyurea?
The IUPAC name of 1-[1-(5-benzylthiophen-2-yl)ethyl]-1-hydroxyurea (CID 10660093) is 1-[1-(5-benzylthiophen-2-yl)ethyl]-1-hydroxyurea.
What is the SMILES notation for 1-[1-(5-benzylthiophen-2-yl)ethyl]-1-hydroxyurea?
The canonical SMILES for 1-[1-(5-benzylthiophen-2-yl)ethyl]-1-hydroxyurea is CC(c1ccc(Cc2ccccc2)s1)N(O)C(N)=O.
What is the InChIKey of 1-[1-(5-benzylthiophen-2-yl)ethyl]-1-hydroxyurea?
The InChIKey is VXOVZBJZWNRIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10(16(18)14(15)17)13-8-7-12(19-13)9-11-5-3-2-4-6-11/h2-8,10,18H,9H2,1H3,(H2,15,17).
What are the key properties of 1-[1-(5-benzylthiophen-2-yl)ethyl]-1-hydroxyurea?
1-[1-(5-benzylthiophen-2-yl)ethyl]-1-hydroxyurea has a molecular weight of 276.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-benzylthiophen-2-yl)ethyl]-1-hydroxyurea is sourced from PubChem (CID 10660093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).