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

C17H19ClN2O2S — CID 167979146

IUPAC3-[4-(2-chlorophenyl)sulfanylphenyl]-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1
InChIInChI=1S/C17H19ClN2O2S/c1-2-20(11-12-21)17(22)19-13-7-9-14(10-8-13)23-16-6-4-3-5-15(16)18/h3-10,21H,2,11-12H2,1H3,(H,19,22)
InChIKeyPCOPNRNMLPLDTP-UHFFFAOYSA-N
MW350.87 g/mol
LogP4.34
Rot. Bonds6

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

3-[4-(2-chlorophenyl)sulfanylphenyl]-1-ethyl-1-(2-hydroxyethyl)urea (PubChem CID 167979146) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is 3-[4-(2-chlorophenyl)sulfanylphenyl]-1-ethyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[4-(2-chlorophenyl)sulfanylphenyl]-1-ethyl-1-(2-hydroxyethyl)urea
PubChem CID167979146
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC Name3-[4-(2-chlorophenyl)sulfanylphenyl]-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1
InChIInChI=1S/C17H19ClN2O2S/c1-2-20(11-12-21)17(22)19-13-7-9-14(10-8-13)23-16-6-4-3-5-15(16)18/h3-10,21H,2,11-12H2,1H3,(H,19,22)
InChIKeyPCOPNRNMLPLDTP-UHFFFAOYSA-N
XLogP4.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-(2-chlorophenyl)sulfanylphenyl]-1-ethyl-1-(2-hydroxyethyl)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

3-[4-(difluoromethylsulfanyl)phenyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110890261
3-(3-chloro-2-methylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 110890389
2-chloro-4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
CID 61399303
3-[4-chloro-3-(difluoromethoxy)phenyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 75451514
1-ethyl-1-(2-hydroxyethyl)-3-(4-pentylphenyl)urea
CID 110890910
1-[4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 115914152
1-(2-aminoethyl)-3-(4-chlorophenyl)-1-ethylurea
CID 82354382
3-(3-chloro-4-pyrazol-1-ylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 110929101
3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 115608745
1-benzyl-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)urea
CID 110896720
3-(3-chloro-4-methylphenyl)-1-ethyl-1-(3-hydroxypropyl)urea
CID 115662904
3-(4-chlorophenyl)-1-ethyl-1-[(2R)-2-hydroxypropyl]urea
CID 94777007

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chlorophenyl)sulfanylphenyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-[4-(2-chlorophenyl)sulfanylphenyl]-1-ethyl-1-(2-hydroxyethyl)urea (CID 167979146) is 3-[4-(2-chlorophenyl)sulfanylphenyl]-1-ethyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[4-(2-chlorophenyl)sulfanylphenyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-[4-(2-chlorophenyl)sulfanylphenyl]-1-ethyl-1-(2-hydroxyethyl)urea is CCN(CCO)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1.
What is the InChIKey of 3-[4-(2-chlorophenyl)sulfanylphenyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The InChIKey is PCOPNRNMLPLDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c1-2-20(11-12-21)17(22)19-13-7-9-14(10-8-13)23-16-6-4-3-5-15(16)18/h3-10,21H,2,11-12H2,1H3,(H,19,22).
What are the key properties of 3-[4-(2-chlorophenyl)sulfanylphenyl]-1-ethyl-1-(2-hydroxyethyl)urea?
3-[4-(2-chlorophenyl)sulfanylphenyl]-1-ethyl-1-(2-hydroxyethyl)urea has a molecular weight of 350.87 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chlorophenyl)sulfanylphenyl]-1-ethyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 167979146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).