1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(2S,3R)-2-phenyloxolan-3-yl]urea

C18H22N2O3S — CID 98787633

IUPAC1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(2S,3R)-2-phenyloxolan-3-yl]urea
SMILESC[C@](O)(CNC(=O)N[C@@H]1CCO[C@H]1c1ccccc1)c1ccsc1
InChIInChI=1S/C18H22N2O3S/c1-18(22,14-8-10-24-11-14)12-19-17(21)20-15-7-9-23-16(15)13-5-3-2-4-6-13/h2-6,8,10-11,15-16,22H,7,9,12H2,1H3,(H2,19,20,21)/t15-,16+,18+/m1/s1
InChIKeyZCAGWUIDIKTPBF-RYRKJORJSA-N
MW346.45 g/mol
LogP2.79
Rot. Bonds5

About 1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(2S,3R)-2-phenyloxolan-3-yl]urea

1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(2S,3R)-2-phenyloxolan-3-yl]urea (PubChem CID 98787633) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(2S,3R)-2-phenyloxolan-3-yl]urea.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(2S,3R)-2-phenyloxolan-3-yl]urea
PubChem CID98787633
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(2S,3R)-2-phenyloxolan-3-yl]urea
SMILESC[C@](O)(CNC(=O)N[C@@H]1CCO[C@H]1c1ccccc1)c1ccsc1
InChIInChI=1S/C18H22N2O3S/c1-18(22,14-8-10-24-11-14)12-19-17(21)20-15-7-9-23-16(15)13-5-3-2-4-6-13/h2-6,8,10-11,15-16,22H,7,9,12H2,1H3,(H2,19,20,21)/t15-,16+,18+/m1/s1
InChIKeyZCAGWUIDIKTPBF-RYRKJORJSA-N
XLogP2.79
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(2S,3R)-2-phenyloxolan-3-yl]urea with MolForge

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Related Compounds

1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylcyclopropyl)urea
CID 111450609
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea
CID 111450187
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-methylpiperidin-4-yl)urea
CID 111453966
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-hydroxy-2-thiophen-3-ylpropyl)-3-(naphthalen-1-ylmethyl)urea
CID 111450577
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methylmorpholine-2-carboxamide
CID 111720032
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111508204
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea
CID 111509560
1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea
CID 97087383
N'-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)butanediamide
CID 109477004

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(2S,3R)-2-phenyloxolan-3-yl]urea?
The IUPAC name of 1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(2S,3R)-2-phenyloxolan-3-yl]urea (CID 98787633) is 1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(2S,3R)-2-phenyloxolan-3-yl]urea.
What is the SMILES notation for 1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(2S,3R)-2-phenyloxolan-3-yl]urea?
The canonical SMILES for 1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(2S,3R)-2-phenyloxolan-3-yl]urea is C[C@](O)(CNC(=O)N[C@@H]1CCO[C@H]1c1ccccc1)c1ccsc1.
What is the InChIKey of 1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(2S,3R)-2-phenyloxolan-3-yl]urea?
The InChIKey is ZCAGWUIDIKTPBF-RYRKJORJSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-18(22,14-8-10-24-11-14)12-19-17(21)20-15-7-9-23-16(15)13-5-3-2-4-6-13/h2-6,8,10-11,15-16,22H,7,9,12H2,1H3,(H2,19,20,21)/t15-,16+,18+/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(2S,3R)-2-phenyloxolan-3-yl]urea?
1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(2S,3R)-2-phenyloxolan-3-yl]urea has a molecular weight of 346.45 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[(2S,3R)-2-phenyloxolan-3-yl]urea is sourced from PubChem (CID 98787633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).