1-[2-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea

C16H19ClN2O2S — CID 111450574

IUPAC1-[2-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
SMILESCC(O)(CNC(=O)NCCc1ccccc1Cl)c1ccsc1
InChIInChI=1S/C16H19ClN2O2S/c1-16(21,13-7-9-22-10-13)11-19-15(20)18-8-6-12-4-2-3-5-14(12)17/h2-5,7,9-10,21H,6,8,11H2,1H3,(H2,18,19,20)
InChIKeyVNSVADKCSQMTCS-UHFFFAOYSA-N
MW338.86 g/mol
LogP3.15
Rot. Bonds6

About 1-[2-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea

1-[2-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea (PubChem CID 111450574) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
PubChem CID111450574
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC Name1-[2-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
SMILESCC(O)(CNC(=O)NCCc1ccccc1Cl)c1ccsc1
InChIInChI=1S/C16H19ClN2O2S/c1-16(21,13-7-9-22-10-13)11-19-15(20)18-8-6-12-4-2-3-5-14(12)17/h2-5,7,9-10,21H,6,8,11H2,1H3,(H2,18,19,20)
InChIKeyVNSVADKCSQMTCS-UHFFFAOYSA-N
XLogP3.15
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(naphthalen-1-ylmethyl)urea
CID 111450577
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-pentylurea
CID 111450359
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea
CID 111450187
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[4-(2-oxo-1-pyridinyl)butyl]urea
CID 111455536
N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 111450384
1-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110630022
1-[2-(2-chlorophenyl)ethyl]-3-(2-methylpropyl)urea
CID 108867353
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide
CID 47448428
tert-butyl N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]carbamate
CID 108864598
1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
CID 95782891

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea?
The IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea (CID 111450574) is 1-[2-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea.
What is the SMILES notation for 1-[2-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea?
The canonical SMILES for 1-[2-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea is CC(O)(CNC(=O)NCCc1ccccc1Cl)c1ccsc1.
What is the InChIKey of 1-[2-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea?
The InChIKey is VNSVADKCSQMTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S/c1-16(21,13-7-9-22-10-13)11-19-15(20)18-8-6-12-4-2-3-5-14(12)17/h2-5,7,9-10,21H,6,8,11H2,1H3,(H2,18,19,20).
What are the key properties of 1-[2-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea?
1-[2-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea has a molecular weight of 338.86 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea is sourced from PubChem (CID 111450574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).