1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methylsulfanylphenyl)urea

C16H17ClN2O2S — CID 110890570

IUPAC1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methylsulfanylphenyl)urea
SMILESCSc1ccccc1NC(=O)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O2S/c1-22-15-5-3-2-4-13(15)19-16(21)18-10-14(20)11-6-8-12(17)9-7-11/h2-9,14,20H,10H2,1H3,(H2,18,19,21)
InChIKeyYDYUPQGTCOREEB-UHFFFAOYSA-N
MW336.84 g/mol
LogP3.92
Rot. Bonds5

About 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methylsulfanylphenyl)urea

1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methylsulfanylphenyl)urea (PubChem CID 110890570) has the molecular formula C16H17ClN2O2S and a molecular weight of 336.84 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methylsulfanylphenyl)urea
PubChem CID110890570
Molecular FormulaC16H17ClN2O2S
Molecular Weight336.84 g/mol
Exact Mass336.07
IUPAC Name1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methylsulfanylphenyl)urea
SMILESCSc1ccccc1NC(=O)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O2S/c1-22-15-5-3-2-4-13(15)19-16(21)18-10-14(20)11-6-8-12(17)9-7-11/h2-9,14,20H,10H2,1H3,(H2,18,19,21)
InChIKeyYDYUPQGTCOREEB-UHFFFAOYSA-N
XLogP3.92
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644582
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
CID 111475007
1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110890317
1-(4-chlorophenyl)-3-(2-hydroxy-2-phenylethyl)urea
CID 15933957
1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 71803918
1-[(2,4-dichlorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea
CID 4584887
1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[[2-(methanesulfonamido)phenyl]methyl]urea
CID 166225600
1-[2-[(2,2-dichlorocyclopropyl)methylsulfanyl]phenyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 78893729
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-methylsulfanylpropan-2-yl)urea
CID 111434478
1-benzyl-3-(2-methylsulfanylphenyl)urea
CID 47125363
1-(2,4-dichlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 75876358
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 36512499

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methylsulfanylphenyl)urea?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methylsulfanylphenyl)urea (CID 110890570) is 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methylsulfanylphenyl)urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methylsulfanylphenyl)urea is CSc1ccccc1NC(=O)NCC(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methylsulfanylphenyl)urea?
The InChIKey is YDYUPQGTCOREEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2S/c1-22-15-5-3-2-4-13(15)19-16(21)18-10-14(20)11-6-8-12(17)9-7-11/h2-9,14,20H,10H2,1H3,(H2,18,19,21).
What are the key properties of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methylsulfanylphenyl)urea?
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methylsulfanylphenyl)urea has a molecular weight of 336.84 g/mol, XLogP of 3.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methylsulfanylphenyl)urea is sourced from PubChem (CID 110890570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).