1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]urea

C20H26N2O2S — CID 90582092

IUPAC1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]urea
SMILESCSc1ccc(C(O)CNC(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O2S/c1-20(2,3)15-7-9-16(10-8-15)22-19(24)21-13-18(23)14-5-11-17(25-4)12-6-14/h5-12,18,23H,13H2,1-4H3,(H2,21,22,24)
InChIKeyLDEGFKGEZGDYPD-UHFFFAOYSA-N
MW358.51 g/mol
LogP4.56
Rot. Bonds5

About 1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]urea

1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]urea (PubChem CID 90582092) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]urea
PubChem CID90582092
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]urea
SMILESCSc1ccc(C(O)CNC(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O2S/c1-20(2,3)15-7-9-16(10-8-15)22-19(24)21-13-18(23)14-5-11-17(25-4)12-6-14/h5-12,18,23H,13H2,1-4H3,(H2,21,22,24)
InChIKeyLDEGFKGEZGDYPD-UHFFFAOYSA-N
XLogP4.56
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]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-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-ethylurea
CID 111422305
1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 71803918
1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea
CID 90534946
1-benzyl-3-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]urea
CID 97417039
1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 111422275
4-chloro-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide
CID 90581781
2-methoxy-3-[(4-methylsulfanylphenyl)carbamoylamino]propanoic acid
CID 114144566
1-(4-acetylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 38283937
methyl 4-[[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]carbamoyl]benzoate
CID 97416840
1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]urea
CID 166216514
1-(4-tert-butylphenyl)-3-(chloromethyl)urea
CID 142021832
4-[[[2-(4-tert-butylphenyl)-2-hydroxyethyl]carbamoylamino]methyl]benzoic acid
CID 122021116

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]urea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]urea (CID 90582092) is 1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]urea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]urea is CSc1ccc(C(O)CNC(=O)Nc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]urea?
The InChIKey is LDEGFKGEZGDYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-20(2,3)15-7-9-16(10-8-15)22-19(24)21-13-18(23)14-5-11-17(25-4)12-6-14/h5-12,18,23H,13H2,1-4H3,(H2,21,22,24).
What are the key properties of 1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]urea?
1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]urea has a molecular weight of 358.51 g/mol, XLogP of 4.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]urea is sourced from PubChem (CID 90582092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).