1-(4-ethoxyphenyl)-3-[(5-ethylthiophene-2-carbonyl)amino]urea

C16H19N3O3S — CID 970850

IUPAC1-(4-ethoxyphenyl)-3-[(5-ethylthiophene-2-carbonyl)amino]urea
SMILESCCOc1ccc(NC(=O)NNC(=O)c2ccc(CC)s2)cc1
InChIInChI=1S/C16H19N3O3S/c1-3-13-9-10-14(23-13)15(20)18-19-16(21)17-11-5-7-12(8-6-11)22-4-2/h5-10H,3-4H2,1-2H3,(H,18,20)(H2,17,19,21)
InChIKeyHZLSRUIHUBEGHH-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.18
Rot. Bonds5

About 1-(4-ethoxyphenyl)-3-[(5-ethylthiophene-2-carbonyl)amino]urea

1-(4-ethoxyphenyl)-3-[(5-ethylthiophene-2-carbonyl)amino]urea (PubChem CID 970850) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[(5-ethylthiophene-2-carbonyl)amino]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[(5-ethylthiophene-2-carbonyl)amino]urea
PubChem CID970850
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name1-(4-ethoxyphenyl)-3-[(5-ethylthiophene-2-carbonyl)amino]urea
SMILESCCOc1ccc(NC(=O)NNC(=O)c2ccc(CC)s2)cc1
InChIInChI=1S/C16H19N3O3S/c1-3-13-9-10-14(23-13)15(20)18-19-16(21)17-11-5-7-12(8-6-11)22-4-2/h5-10H,3-4H2,1-2H3,(H,18,20)(H2,17,19,21)
InChIKeyHZLSRUIHUBEGHH-UHFFFAOYSA-N
XLogP3.18
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 1-(4-ethoxyphenyl)-3-[(5-ethylthiophene-2-carbonyl)amino]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[(5-ethylthiophene-2-carbonyl)amino]urea (CID 970850) is 1-(4-ethoxyphenyl)-3-[(5-ethylthiophene-2-carbonyl)amino]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[(5-ethylthiophene-2-carbonyl)amino]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[(5-ethylthiophene-2-carbonyl)amino]urea is CCOc1ccc(NC(=O)NNC(=O)c2ccc(CC)s2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[(5-ethylthiophene-2-carbonyl)amino]urea?
The InChIKey is HZLSRUIHUBEGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-3-13-9-10-14(23-13)15(20)18-19-16(21)17-11-5-7-12(8-6-11)22-4-2/h5-10H,3-4H2,1-2H3,(H,18,20)(H2,17,19,21).
What are the key properties of 1-(4-ethoxyphenyl)-3-[(5-ethylthiophene-2-carbonyl)amino]urea?
1-(4-ethoxyphenyl)-3-[(5-ethylthiophene-2-carbonyl)amino]urea has a molecular weight of 333.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[(5-ethylthiophene-2-carbonyl)amino]urea is sourced from PubChem (CID 970850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).