1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-[(S)-methylsulfinyl]phenyl]urea

C16H18N2O3S — CID 96562726

IUPAC1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-[(S)-methylsulfinyl]phenyl]urea
SMILESC[S@](=O)c1ccc(NC(=O)N[C@H](CO)c2ccccc2)cc1
InChIInChI=1S/C16H18N2O3S/c1-22(21)14-9-7-13(8-10-14)17-16(20)18-15(11-19)12-5-3-2-4-6-12/h2-10,15,19H,11H2,1H3,(H2,17,18,20)/t15-,22+/m1/s1
InChIKeySJOIDEYVXBEULI-QRQCRPRQSA-N
MW318.40 g/mol
LogP2.28
Rot. Bonds5

About 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-[(S)-methylsulfinyl]phenyl]urea

1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-[(S)-methylsulfinyl]phenyl]urea (PubChem CID 96562726) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-[(S)-methylsulfinyl]phenyl]urea.

Molecular Properties

Compound Name1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-[(S)-methylsulfinyl]phenyl]urea
PubChem CID96562726
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-[(S)-methylsulfinyl]phenyl]urea
SMILESC[S@](=O)c1ccc(NC(=O)N[C@H](CO)c2ccccc2)cc1
InChIInChI=1S/C16H18N2O3S/c1-22(21)14-9-7-13(8-10-14)17-16(20)18-15(11-19)12-5-3-2-4-6-12/h2-10,15,19H,11H2,1H3,(H2,17,18,20)/t15-,22+/m1/s1
InChIKeySJOIDEYVXBEULI-QRQCRPRQSA-N
XLogP2.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-[(S)-methylsulfinyl]phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 71655407
1-(1-hydroxypropan-2-yl)-3-(4-methylsulfinylphenyl)urea
CID 111617573
1-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methylsulfinylphenyl)urea
CID 111578684
1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-ylphenyl)urea
CID 56593240
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(2-methylsulfanylethyl)phenyl]urea
CID 111103769
1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111475376
1-(2-hydroxy-1-phenylethyl)-3-(3,4,5-trifluorophenyl)urea
CID 111458987
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea
CID 111450296
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
CID 111450283
1-[(1R)-2-[(R)-methylsulfinyl]-1-phenylethyl]-3-(4-nitrophenyl)urea
CID 97001130
1-(2-ethylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 110895839
1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
CID 103763270

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-[(S)-methylsulfinyl]phenyl]urea?
The IUPAC name of 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-[(S)-methylsulfinyl]phenyl]urea (CID 96562726) is 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-[(S)-methylsulfinyl]phenyl]urea.
What is the SMILES notation for 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-[(S)-methylsulfinyl]phenyl]urea?
The canonical SMILES for 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-[(S)-methylsulfinyl]phenyl]urea is C[S@](=O)c1ccc(NC(=O)N[C@H](CO)c2ccccc2)cc1.
What is the InChIKey of 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-[(S)-methylsulfinyl]phenyl]urea?
The InChIKey is SJOIDEYVXBEULI-QRQCRPRQSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-22(21)14-9-7-13(8-10-14)17-16(20)18-15(11-19)12-5-3-2-4-6-12/h2-10,15,19H,11H2,1H3,(H2,17,18,20)/t15-,22+/m1/s1.
What are the key properties of 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-[(S)-methylsulfinyl]phenyl]urea?
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-[(S)-methylsulfinyl]phenyl]urea has a molecular weight of 318.40 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-[(S)-methylsulfinyl]phenyl]urea is sourced from PubChem (CID 96562726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).