1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-naphthalen-2-ylurea

C18H18N2O2S — CID 111442867

IUPAC1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-naphthalen-2-ylurea
SMILESCC(O)(CNC(=O)Nc1ccc2ccccc2c1)c1cccs1
InChIInChI=1S/C18H18N2O2S/c1-18(22,16-7-4-10-23-16)12-19-17(21)20-15-9-8-13-5-2-3-6-14(13)11-15/h2-11,22H,12H2,1H3,(H2,19,20,21)
InChIKeyOQTCKJBKZJKIMJ-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.93
Rot. Bonds4

About 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-naphthalen-2-ylurea

1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-naphthalen-2-ylurea (PubChem CID 111442867) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-naphthalen-2-ylurea
PubChem CID111442867
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-naphthalen-2-ylurea
SMILESCC(O)(CNC(=O)Nc1ccc2ccccc2c1)c1cccs1
InChIInChI=1S/C18H18N2O2S/c1-18(22,16-7-4-10-23-16)12-19-17(21)20-15-9-8-13-5-2-3-6-14(13)11-15/h2-11,22H,12H2,1H3,(H2,19,20,21)
InChIKeyOQTCKJBKZJKIMJ-UHFFFAOYSA-N
XLogP3.93
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3,4-dimethylphenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]oxamide
CID 95983351
1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111443293
N'-(4-acetamidophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
CID 90499924
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111443503
N-(2-hydroxy-2-thiophen-2-ylpropyl)isoquinoline-1-carboxamide
CID 111441944
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea
CID 95899266
1-[2-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111444243
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
N'-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
CID 90499889
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-thiophen-2-ylethyl)urea
CID 111440752
1-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-(4-ethoxyphenyl)urea
CID 99980812

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-naphthalen-2-ylurea?
The IUPAC name of 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-naphthalen-2-ylurea (CID 111442867) is 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-naphthalen-2-ylurea?
The canonical SMILES for 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-naphthalen-2-ylurea is CC(O)(CNC(=O)Nc1ccc2ccccc2c1)c1cccs1.
What is the InChIKey of 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-naphthalen-2-ylurea?
The InChIKey is OQTCKJBKZJKIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-18(22,16-7-4-10-23-16)12-19-17(21)20-15-9-8-13-5-2-3-6-14(13)11-15/h2-11,22H,12H2,1H3,(H2,19,20,21).
What are the key properties of 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-naphthalen-2-ylurea?
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-naphthalen-2-ylurea has a molecular weight of 326.42 g/mol, XLogP of 3.93, 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-2-ylpropyl)-3-naphthalen-2-ylurea is sourced from PubChem (CID 111442867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).