3-ethyl-1-propyl-1-(thiophene-3-carbonylamino)urea

C11H17N3O2S — CID 54099638

IUPAC3-ethyl-1-propyl-1-(thiophene-3-carbonylamino)urea
SMILESCCCN(NC(=O)c1ccsc1)C(=O)NCC
InChIInChI=1S/C11H17N3O2S/c1-3-6-14(11(16)12-4-2)13-10(15)9-5-7-17-8-9/h5,7-8H,3-4,6H2,1-2H3,(H,12,16)(H,13,15)
InChIKeyMZQRZNGZNVYESX-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.83
Rot. Bonds4

About 3-ethyl-1-propyl-1-(thiophene-3-carbonylamino)urea

3-ethyl-1-propyl-1-(thiophene-3-carbonylamino)urea (PubChem CID 54099638) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-ethyl-1-propyl-1-(thiophene-3-carbonylamino)urea.

Molecular Properties

Compound Name3-ethyl-1-propyl-1-(thiophene-3-carbonylamino)urea
PubChem CID54099638
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name3-ethyl-1-propyl-1-(thiophene-3-carbonylamino)urea
SMILESCCCN(NC(=O)c1ccsc1)C(=O)NCC
InChIInChI=1S/C11H17N3O2S/c1-3-6-14(11(16)12-4-2)13-10(15)9-5-7-17-8-9/h5,7-8H,3-4,6H2,1-2H3,(H,12,16)(H,13,15)
InChIKeyMZQRZNGZNVYESX-UHFFFAOYSA-N
XLogP1.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-propyl-1-(thiophene-3-carbonylamino)urea?
The IUPAC name of 3-ethyl-1-propyl-1-(thiophene-3-carbonylamino)urea (CID 54099638) is 3-ethyl-1-propyl-1-(thiophene-3-carbonylamino)urea.
What is the SMILES notation for 3-ethyl-1-propyl-1-(thiophene-3-carbonylamino)urea?
The canonical SMILES for 3-ethyl-1-propyl-1-(thiophene-3-carbonylamino)urea is CCCN(NC(=O)c1ccsc1)C(=O)NCC.
What is the InChIKey of 3-ethyl-1-propyl-1-(thiophene-3-carbonylamino)urea?
The InChIKey is MZQRZNGZNVYESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-3-6-14(11(16)12-4-2)13-10(15)9-5-7-17-8-9/h5,7-8H,3-4,6H2,1-2H3,(H,12,16)(H,13,15).
What are the key properties of 3-ethyl-1-propyl-1-(thiophene-3-carbonylamino)urea?
3-ethyl-1-propyl-1-(thiophene-3-carbonylamino)urea has a molecular weight of 255.34 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-propyl-1-(thiophene-3-carbonylamino)urea is sourced from PubChem (CID 54099638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).