1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(naphthalen-1-ylmethyl)urea

C19H20N2O2S — CID 111450577

IUPAC1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(naphthalen-1-ylmethyl)urea
SMILESCC(O)(CNC(=O)NCc1cccc2ccccc12)c1ccsc1
InChIInChI=1S/C19H20N2O2S/c1-19(23,16-9-10-24-12-16)13-21-18(22)20-11-15-7-4-6-14-5-2-3-8-17(14)15/h2-10,12,23H,11,13H2,1H3,(H2,20,21,22)
InChIKeyKBGANSCEEUWRLP-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.61
Rot. Bonds5

About 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(naphthalen-1-ylmethyl)urea

1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(naphthalen-1-ylmethyl)urea (PubChem CID 111450577) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(naphthalen-1-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(naphthalen-1-ylmethyl)urea
PubChem CID111450577
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(naphthalen-1-ylmethyl)urea
SMILESCC(O)(CNC(=O)NCc1cccc2ccccc12)c1ccsc1
InChIInChI=1S/C19H20N2O2S/c1-19(23,16-9-10-24-12-16)13-21-18(22)20-11-15-7-4-6-14-5-2-3-8-17(14)15/h2-10,12,23H,11,13H2,1H3,(H2,20,21,22)
InChIKeyKBGANSCEEUWRLP-UHFFFAOYSA-N
XLogP3.61
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-2-phenylpropyl)-3-(naphthalen-1-ylmethyl)urea
CID 121112095
1-[2-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111450574
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea
CID 111450187
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 111450384
N-[2-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 111452114
N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
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
N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 71985067
1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 96548923
1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 71847782
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide
CID 111452236

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(naphthalen-1-ylmethyl)urea?
The IUPAC name of 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(naphthalen-1-ylmethyl)urea (CID 111450577) is 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(naphthalen-1-ylmethyl)urea.
What is the SMILES notation for 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(naphthalen-1-ylmethyl)urea?
The canonical SMILES for 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(naphthalen-1-ylmethyl)urea is CC(O)(CNC(=O)NCc1cccc2ccccc12)c1ccsc1.
What is the InChIKey of 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(naphthalen-1-ylmethyl)urea?
The InChIKey is KBGANSCEEUWRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-19(23,16-9-10-24-12-16)13-21-18(22)20-11-15-7-4-6-14-5-2-3-8-17(14)15/h2-10,12,23H,11,13H2,1H3,(H2,20,21,22).
What are the key properties of 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(naphthalen-1-ylmethyl)urea?
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(naphthalen-1-ylmethyl)urea has a molecular weight of 340.45 g/mol, XLogP of 3.61, 5 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-(naphthalen-1-ylmethyl)urea is sourced from PubChem (CID 111450577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).