1-ethyl-1-(2-hydroxyethyl)-3-[2-(4-methylphenyl)sulfanylethyl]urea

C14H22N2O2S — CID 110895113

IUPAC1-ethyl-1-(2-hydroxyethyl)-3-[2-(4-methylphenyl)sulfanylethyl]urea
SMILESCCN(CCO)C(=O)NCCSc1ccc(C)cc1
InChIInChI=1S/C14H22N2O2S/c1-3-16(9-10-17)14(18)15-8-11-19-13-6-4-12(2)5-7-13/h4-7,17H,3,8-11H2,1-2H3,(H,15,18)
InChIKeyPQZHMCKITRIZNL-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.11
Rot. Bonds7

About 1-ethyl-1-(2-hydroxyethyl)-3-[2-(4-methylphenyl)sulfanylethyl]urea

1-ethyl-1-(2-hydroxyethyl)-3-[2-(4-methylphenyl)sulfanylethyl]urea (PubChem CID 110895113) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-ethyl-1-(2-hydroxyethyl)-3-[2-(4-methylphenyl)sulfanylethyl]urea.

Molecular Properties

Compound Name1-ethyl-1-(2-hydroxyethyl)-3-[2-(4-methylphenyl)sulfanylethyl]urea
PubChem CID110895113
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-ethyl-1-(2-hydroxyethyl)-3-[2-(4-methylphenyl)sulfanylethyl]urea
SMILESCCN(CCO)C(=O)NCCSc1ccc(C)cc1
InChIInChI=1S/C14H22N2O2S/c1-3-16(9-10-17)14(18)15-8-11-19-13-6-4-12(2)5-7-13/h4-7,17H,3,8-11H2,1-2H3,(H,15,18)
InChIKeyPQZHMCKITRIZNL-UHFFFAOYSA-N
XLogP2.11
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-ethyl-1-(2-hydroxyethyl)-3-[2-(4-methylphenyl)sulfanylethyl]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

1,1-bis(2-hydroxyethyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874492
1-ethyl-1-(2-hydroxyethyl)-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]urea
CID 110923051
2,2,2-trifluoro-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 71411756
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(4-methylphenyl)sulfanylethyl]urea
CID 109397494
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-(4-methylphenyl)sulfanylethyl]urea
CID 111504144
N-[2-(diethylcarbamoylamino)ethyl]-4-methylbenzamide
CID 108570702
1-ethyl-3-[2-(4-methylphenyl)sulfanylethyl]thiourea
CID 2287978
2-hydroxy-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide
CID 110015113
2-amino-3-methyl-N-[2-(4-methylphenyl)sulfanylethyl]pentanamide
CID 119691514
3-[3-(4-tert-butylphenoxy)propyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 108882833
1-ethyl-1-(2-hydroxyethyl)-3-[(2-methylphenyl)methyl]urea
CID 108897193
3-[2-(2-bromophenyl)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 49132868

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-[2-(4-methylphenyl)sulfanylethyl]urea?
The IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-[2-(4-methylphenyl)sulfanylethyl]urea (CID 110895113) is 1-ethyl-1-(2-hydroxyethyl)-3-[2-(4-methylphenyl)sulfanylethyl]urea.
What is the SMILES notation for 1-ethyl-1-(2-hydroxyethyl)-3-[2-(4-methylphenyl)sulfanylethyl]urea?
The canonical SMILES for 1-ethyl-1-(2-hydroxyethyl)-3-[2-(4-methylphenyl)sulfanylethyl]urea is CCN(CCO)C(=O)NCCSc1ccc(C)cc1.
What is the InChIKey of 1-ethyl-1-(2-hydroxyethyl)-3-[2-(4-methylphenyl)sulfanylethyl]urea?
The InChIKey is PQZHMCKITRIZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-16(9-10-17)14(18)15-8-11-19-13-6-4-12(2)5-7-13/h4-7,17H,3,8-11H2,1-2H3,(H,15,18).
What are the key properties of 1-ethyl-1-(2-hydroxyethyl)-3-[2-(4-methylphenyl)sulfanylethyl]urea?
1-ethyl-1-(2-hydroxyethyl)-3-[2-(4-methylphenyl)sulfanylethyl]urea has a molecular weight of 282.41 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-hydroxyethyl)-3-[2-(4-methylphenyl)sulfanylethyl]urea is sourced from PubChem (CID 110895113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).