1-(3-iodophenyl)-3-(2-thiophen-2-ylethyl)urea

C13H13IN2OS — CID 3732089

IUPAC1-(3-iodophenyl)-3-(2-thiophen-2-ylethyl)urea
SMILESO=C(NCCc1cccs1)Nc1cccc(I)c1
InChIInChI=1S/C13H13IN2OS/c14-10-3-1-4-11(9-10)16-13(17)15-7-6-12-5-2-8-18-12/h1-5,8-9H,6-7H2,(H2,15,16,17)
InChIKeyRABRVPQNPJNHBD-UHFFFAOYSA-N
MW372.23 g/mol
LogP3.72
Rot. Bonds4

About 1-(3-iodophenyl)-3-(2-thiophen-2-ylethyl)urea

1-(3-iodophenyl)-3-(2-thiophen-2-ylethyl)urea (PubChem CID 3732089) has the molecular formula C13H13IN2OS and a molecular weight of 372.23 g/mol. Its IUPAC name is 1-(3-iodophenyl)-3-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-(3-iodophenyl)-3-(2-thiophen-2-ylethyl)urea
PubChem CID3732089
Molecular FormulaC13H13IN2OS
Molecular Weight372.23 g/mol
Exact Mass371.98
IUPAC Name1-(3-iodophenyl)-3-(2-thiophen-2-ylethyl)urea
SMILESO=C(NCCc1cccs1)Nc1cccc(I)c1
InChIInChI=1S/C13H13IN2OS/c14-10-3-1-4-11(9-10)16-13(17)15-7-6-12-5-2-8-18-12/h1-5,8-9H,6-7H2,(H2,15,16,17)
InChIKeyRABRVPQNPJNHBD-UHFFFAOYSA-N
XLogP3.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.23
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethylphenyl)-3-(2-thiophen-2-ylethyl)urea
CID 4665245
N-(3-iodophenyl)-4-thiophen-2-ylbutanamide
CID 7688853
1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea
CID 6457397
1-(2,6-dichloro-4-pyridinyl)-3-(2-thiophen-2-ylethyl)urea
CID 3286045
2-fluoro-5-(2-thiophen-2-ylethylcarbamoylamino)benzoic acid
CID 61190854
N-(3-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide
CID 134000907
2-[2-[(3-iodophenyl)carbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373706
1-(3-chloro-4-thiomorpholin-4-ylphenyl)-3-(2-thiophen-2-ylethyl)urea
CID 60612095
1-(3-chlorophenyl)-3-(2-thiophen-2-ylethyl)thiourea
CID 5019399
2-bromo-5-iodo-N-(2-thiophen-2-ylethyl)benzamide
CID 113362373
1-[2-(2-ethoxyphenyl)ethyl]-3-(3-iodophenyl)urea
CID 3716045
2-[4-(2-thiophen-2-ylethylcarbamoylamino)pyrazol-1-yl]acetic acid
CID 61191363

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodophenyl)-3-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-(3-iodophenyl)-3-(2-thiophen-2-ylethyl)urea (CID 3732089) is 1-(3-iodophenyl)-3-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-(3-iodophenyl)-3-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-(3-iodophenyl)-3-(2-thiophen-2-ylethyl)urea is O=C(NCCc1cccs1)Nc1cccc(I)c1.
What is the InChIKey of 1-(3-iodophenyl)-3-(2-thiophen-2-ylethyl)urea?
The InChIKey is RABRVPQNPJNHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN2OS/c14-10-3-1-4-11(9-10)16-13(17)15-7-6-12-5-2-8-18-12/h1-5,8-9H,6-7H2,(H2,15,16,17).
What are the key properties of 1-(3-iodophenyl)-3-(2-thiophen-2-ylethyl)urea?
1-(3-iodophenyl)-3-(2-thiophen-2-ylethyl)urea has a molecular weight of 372.23 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodophenyl)-3-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 3732089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).