1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea

C13H13ClN2OS — CID 6457397

IUPAC1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea
SMILESO=C(NCCc1cccs1)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2OS/c14-10-3-5-11(6-4-10)16-13(17)15-8-7-12-2-1-9-18-12/h1-6,9H,7-8H2,(H2,15,16,17)
InChIKeyGOTKACBYTSNYTK-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.77
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea

1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea (PubChem CID 6457397) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea
PubChem CID6457397
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC Name1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea
SMILESO=C(NCCc1cccs1)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2OS/c14-10-3-5-11(6-4-10)16-13(17)15-8-7-12-2-1-9-18-12/h1-6,9H,7-8H2,(H2,15,16,17)
InChIKeyGOTKACBYTSNYTK-UHFFFAOYSA-N
XLogP3.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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
1-(3,4-dimethylphenyl)-3-(2-thiophen-2-ylethyl)urea
CID 4665245
4-chloro-2-(2-thiophen-2-ylethylcarbamoylamino)benzoic acid
CID 61191026
1-(3-chloro-4-thiomorpholin-4-ylphenyl)-3-(2-thiophen-2-ylethyl)urea
CID 60612095
1-(3-iodophenyl)-3-(2-thiophen-2-ylethyl)urea
CID 3732089
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
1-(4-chlorophenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 49470404
N-(4-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide
CID 134000912
N-[2-fluoro-5-(2-thiophen-2-ylethylcarbamoylamino)phenyl]cyclohexanecarboxamide
CID 47040954
2-[4-(2-thiophen-2-ylethylcarbamoylamino)pyrazol-1-yl]acetic acid
CID 61191363
1-[2-(2-bromophenyl)ethyl]-3-(4-chlorophenyl)urea
CID 108868699

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea (CID 6457397) is 1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea is O=C(NCCc1cccs1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea?
The InChIKey is GOTKACBYTSNYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c14-10-3-5-11(6-4-10)16-13(17)15-8-7-12-2-1-9-18-12/h1-6,9H,7-8H2,(H2,15,16,17).
What are the key properties of 1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea?
1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea has a molecular weight of 280.78 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 6457397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).