1-(2-hydroxyethyl)-3-(4-methylphenyl)-1-(thiophen-3-ylmethyl)urea

C15H18N2O2S — CID 47088383

IUPAC1-(2-hydroxyethyl)-3-(4-methylphenyl)-1-(thiophen-3-ylmethyl)urea
SMILESCc1ccc(NC(=O)N(CCO)Cc2ccsc2)cc1
InChIInChI=1S/C15H18N2O2S/c1-12-2-4-14(5-3-12)16-15(19)17(7-8-18)10-13-6-9-20-11-13/h2-6,9,11,18H,7-8,10H2,1H3,(H,16,19)
InChIKeyCDULZOPKUVLVKZ-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.08
Rot. Bonds5

About 1-(2-hydroxyethyl)-3-(4-methylphenyl)-1-(thiophen-3-ylmethyl)urea

1-(2-hydroxyethyl)-3-(4-methylphenyl)-1-(thiophen-3-ylmethyl)urea (PubChem CID 47088383) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(4-methylphenyl)-1-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(4-methylphenyl)-1-(thiophen-3-ylmethyl)urea
PubChem CID47088383
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-(2-hydroxyethyl)-3-(4-methylphenyl)-1-(thiophen-3-ylmethyl)urea
SMILESCc1ccc(NC(=O)N(CCO)Cc2ccsc2)cc1
InChIInChI=1S/C15H18N2O2S/c1-12-2-4-14(5-3-12)16-15(19)17(7-8-18)10-13-6-9-20-11-13/h2-6,9,11,18H,7-8,10H2,1H3,(H,16,19)
InChIKeyCDULZOPKUVLVKZ-UHFFFAOYSA-N
XLogP3.08
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(4-methylphenyl)-1-(thiophen-3-ylmethyl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(4-methylphenyl)-1-(thiophen-3-ylmethyl)urea (CID 47088383) is 1-(2-hydroxyethyl)-3-(4-methylphenyl)-1-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(4-methylphenyl)-1-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(4-methylphenyl)-1-(thiophen-3-ylmethyl)urea is Cc1ccc(NC(=O)N(CCO)Cc2ccsc2)cc1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(4-methylphenyl)-1-(thiophen-3-ylmethyl)urea?
The InChIKey is CDULZOPKUVLVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-12-2-4-14(5-3-12)16-15(19)17(7-8-18)10-13-6-9-20-11-13/h2-6,9,11,18H,7-8,10H2,1H3,(H,16,19).
What are the key properties of 1-(2-hydroxyethyl)-3-(4-methylphenyl)-1-(thiophen-3-ylmethyl)urea?
1-(2-hydroxyethyl)-3-(4-methylphenyl)-1-(thiophen-3-ylmethyl)urea has a molecular weight of 290.39 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(4-methylphenyl)-1-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 47088383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).