1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylthiophen-2-yl)methyl]urea

C16H20N2O2S — CID 96543810

IUPAC1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylthiophen-2-yl)methyl]urea
SMILESCc1ccc(CNC(=O)N[C@@H](CO)Cc2ccccc2)s1
InChIInChI=1S/C16H20N2O2S/c1-12-7-8-15(21-12)10-17-16(20)18-14(11-19)9-13-5-3-2-4-6-13/h2-8,14,19H,9-11H2,1H3,(H2,17,18,20)/t14-/m1/s1
InChIKeyBLFOMOPFAZGLKN-CQSZACIVSA-N
MW304.42 g/mol
LogP2.46
Rot. Bonds6

About 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylthiophen-2-yl)methyl]urea

1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylthiophen-2-yl)methyl]urea (PubChem CID 96543810) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylthiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylthiophen-2-yl)methyl]urea
PubChem CID96543810
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylthiophen-2-yl)methyl]urea
SMILESCc1ccc(CNC(=O)N[C@@H](CO)Cc2ccccc2)s1
InChIInChI=1S/C16H20N2O2S/c1-12-7-8-15(21-12)10-17-16(20)18-14(11-19)9-13-5-3-2-4-6-13/h2-8,14,19H,9-11H2,1H3,(H2,17,18,20)/t14-/m1/s1
InChIKeyBLFOMOPFAZGLKN-CQSZACIVSA-N
XLogP2.46
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 75448635
(2R)-3-hydroxy-2-[(5-methylthiophen-2-yl)methylcarbamoylamino]propanoic acid
CID 80756878
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 99635583
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 91661830
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(2-methylprop-2-enyl)urea
CID 91650522
1-but-2-ynyl-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 84597423
(2S)-3-methyl-2-[(5-methylthiophen-2-yl)methylcarbamoylamino]butanoic acid
CID 55029485
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 95288811
1-[(5-chloro-2-pyridinyl)methyl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 99698465
N-[(5-methylthiophen-2-yl)methyl]-1-phenylpropan-2-amine
CID 63012085
(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-phenylpropanamide
CID 78995785

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylthiophen-2-yl)methyl]urea?
The IUPAC name of 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylthiophen-2-yl)methyl]urea (CID 96543810) is 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylthiophen-2-yl)methyl]urea.
What is the SMILES notation for 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylthiophen-2-yl)methyl]urea?
The canonical SMILES for 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylthiophen-2-yl)methyl]urea is Cc1ccc(CNC(=O)N[C@@H](CO)Cc2ccccc2)s1.
What is the InChIKey of 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylthiophen-2-yl)methyl]urea?
The InChIKey is BLFOMOPFAZGLKN-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12-7-8-15(21-12)10-17-16(20)18-14(11-19)9-13-5-3-2-4-6-13/h2-8,14,19H,9-11H2,1H3,(H2,17,18,20)/t14-/m1/s1.
What are the key properties of 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylthiophen-2-yl)methyl]urea?
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylthiophen-2-yl)methyl]urea has a molecular weight of 304.42 g/mol, XLogP of 2.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 96543810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).