1-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-3-(thiophen-2-ylmethyl)urea

C21H22N2O2S — CID 95982834

IUPAC1-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-3-(thiophen-2-ylmethyl)urea
SMILESC[C@](O)(CNC(=O)NCc1cccs1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H22N2O2S/c1-21(25,15-23-20(24)22-14-19-8-5-13-26-19)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-13,25H,14-15H2,1H3,(H2,22,23,24)/t21-/m0/s1
InChIKeyQVYSHSFAWJPTHO-NRFANRHFSA-N
MW366.49 g/mol
LogP4.12
Rot. Bonds6

About 1-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-3-(thiophen-2-ylmethyl)urea

1-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 95982834) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID95982834
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name1-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-3-(thiophen-2-ylmethyl)urea
SMILESC[C@](O)(CNC(=O)NCc1cccs1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H22N2O2S/c1-21(25,15-23-20(24)22-14-19-8-5-13-26-19)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-13,25H,14-15H2,1H3,(H2,22,23,24)/t21-/m0/s1
InChIKeyQVYSHSFAWJPTHO-NRFANRHFSA-N
XLogP4.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-3-(thiophen-2-ylmethyl)urea (CID 95982834) is 1-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-3-(thiophen-2-ylmethyl)urea is C[C@](O)(CNC(=O)NCc1cccs1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is QVYSHSFAWJPTHO-NRFANRHFSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-21(25,15-23-20(24)22-14-19-8-5-13-26-19)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-13,25H,14-15H2,1H3,(H2,22,23,24)/t21-/m0/s1.
What are the key properties of 1-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-3-(thiophen-2-ylmethyl)urea?
1-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 366.49 g/mol, XLogP of 4.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 95982834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).