1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea

C14H16N2O2S — CID 111450187

IUPAC1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea
SMILESCC(O)(CNC(=O)Nc1ccccc1)c1ccsc1
InChIInChI=1S/C14H16N2O2S/c1-14(18,11-7-8-19-9-11)10-15-13(17)16-12-5-3-2-4-6-12/h2-9,18H,10H2,1H3,(H2,15,16,17)
InChIKeySEUQXCKCTQDHMH-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.78
Rot. Bonds4

About 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea

1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea (PubChem CID 111450187) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea
PubChem CID111450187
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea
SMILESCC(O)(CNC(=O)Nc1ccccc1)c1ccsc1
InChIInChI=1S/C14H16N2O2S/c1-14(18,11-7-8-19-9-11)10-15-13(17)16-12-5-3-2-4-6-12/h2-9,18H,10H2,1H3,(H2,15,16,17)
InChIKeySEUQXCKCTQDHMH-UHFFFAOYSA-N
XLogP2.78
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111450202
1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(4-nitrophenyl)urea
CID 95775457
N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 111450384
2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111654615
1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 95775579
1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111453026
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111521345
1-[4-(dimethylamino)phenyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335559
1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
CID 95782891
N-[2-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 111452114

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea?
The IUPAC name of 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea (CID 111450187) is 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea.
What is the SMILES notation for 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea?
The canonical SMILES for 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea is CC(O)(CNC(=O)Nc1ccccc1)c1ccsc1.
What is the InChIKey of 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea?
The InChIKey is SEUQXCKCTQDHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-14(18,11-7-8-19-9-11)10-15-13(17)16-12-5-3-2-4-6-12/h2-9,18H,10H2,1H3,(H2,15,16,17).
What are the key properties of 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea?
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea has a molecular weight of 276.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea is sourced from PubChem (CID 111450187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).