1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[(1-phenylcyclopropyl)methyl]urea

C18H22N2O2S — CID 111450384

IUPAC1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[(1-phenylcyclopropyl)methyl]urea
SMILESCC(O)(CNC(=O)NCC1(c2ccccc2)CC1)c1ccsc1
InChIInChI=1S/C18H22N2O2S/c1-17(22,15-7-10-23-11-15)12-19-16(21)20-13-18(8-9-18)14-5-3-2-4-6-14/h2-7,10-11,22H,8-9,12-13H2,1H3,(H2,19,20,21)
InChIKeyPRCMHZOMZHWROD-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.99
Rot. Bonds6

About 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[(1-phenylcyclopropyl)methyl]urea

1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[(1-phenylcyclopropyl)methyl]urea (PubChem CID 111450384) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[(1-phenylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[(1-phenylcyclopropyl)methyl]urea
PubChem CID111450384
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[(1-phenylcyclopropyl)methyl]urea
SMILESCC(O)(CNC(=O)NCC1(c2ccccc2)CC1)c1ccsc1
InChIInChI=1S/C18H22N2O2S/c1-17(22,15-7-10-23-11-15)12-19-16(21)20-13-18(8-9-18)14-5-3-2-4-6-14/h2-7,10-11,22H,8-9,12-13H2,1H3,(H2,19,20,21)
InChIKeyPRCMHZOMZHWROD-UHFFFAOYSA-N
XLogP2.99
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea
CID 111450187
N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
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
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
1-[2-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111450574
1-benzyl-3-[(1-thiophen-3-ylcyclopropyl)methyl]urea
CID 146078739
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylcyclopropyl)urea
CID 111450609
1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(2S,3R)-2-phenyloxolan-3-yl]urea
CID 98787633
N-[2-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 111452114
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide
CID 111452236
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(N-methylanilino)acetamide
CID 111451848

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[(1-phenylcyclopropyl)methyl]urea?
The IUPAC name of 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[(1-phenylcyclopropyl)methyl]urea (CID 111450384) is 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[(1-phenylcyclopropyl)methyl]urea.
What is the SMILES notation for 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[(1-phenylcyclopropyl)methyl]urea?
The canonical SMILES for 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[(1-phenylcyclopropyl)methyl]urea is CC(O)(CNC(=O)NCC1(c2ccccc2)CC1)c1ccsc1.
What is the InChIKey of 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[(1-phenylcyclopropyl)methyl]urea?
The InChIKey is PRCMHZOMZHWROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-17(22,15-7-10-23-11-15)12-19-16(21)20-13-18(8-9-18)14-5-3-2-4-6-14/h2-7,10-11,22H,8-9,12-13H2,1H3,(H2,19,20,21).
What are the key properties of 1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[(1-phenylcyclopropyl)methyl]urea?
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[(1-phenylcyclopropyl)methyl]urea has a molecular weight of 330.45 g/mol, XLogP of 2.99, 6 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-[(1-phenylcyclopropyl)methyl]urea is sourced from PubChem (CID 111450384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).