1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-3-(thiophen-2-ylmethyl)urea

C15H18N2O2S2 — CID 71803910

IUPAC1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-3-(thiophen-2-ylmethyl)urea
SMILESCSc1ccc(C(O)CNC(=O)NCc2cccs2)cc1
InChIInChI=1S/C15H18N2O2S2/c1-20-12-6-4-11(5-7-12)14(18)10-17-15(19)16-9-13-3-2-8-21-13/h2-8,14,18H,9-10H2,1H3,(H2,16,17,19)
InChIKeyXJZCMYSSNDFRSB-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.00
Rot. Bonds6

About 1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-3-(thiophen-2-ylmethyl)urea

1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 71803910) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID71803910
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC Name1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-3-(thiophen-2-ylmethyl)urea
SMILESCSc1ccc(C(O)CNC(=O)NCc2cccs2)cc1
InChIInChI=1S/C15H18N2O2S2/c1-20-12-6-4-11(5-7-12)14(18)10-17-15(19)16-9-13-3-2-8-21-13/h2-8,14,18H,9-10H2,1H3,(H2,16,17,19)
InChIKeyXJZCMYSSNDFRSB-UHFFFAOYSA-N
XLogP3.00
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-3-(thiophen-2-ylmethyl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-3-(thiophen-2-ylmethyl)urea (CID 71803910) is 1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-3-(thiophen-2-ylmethyl)urea is CSc1ccc(C(O)CNC(=O)NCc2cccs2)cc1.
What is the InChIKey of 1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is XJZCMYSSNDFRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-20-12-6-4-11(5-7-12)14(18)10-17-15(19)16-9-13-3-2-8-21-13/h2-8,14,18H,9-10H2,1H3,(H2,16,17,19).
What are the key properties of 1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-3-(thiophen-2-ylmethyl)urea?
1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 322.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 71803910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).