1-(3-ethylphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea

C15H18N2O2S — CID 111442955

IUPAC1-(3-ethylphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
SMILESCCc1cccc(NC(=O)NCC(O)c2ccsc2)c1
InChIInChI=1S/C15H18N2O2S/c1-2-11-4-3-5-13(8-11)17-15(19)16-9-14(18)12-6-7-20-10-12/h3-8,10,14,18H,2,9H2,1H3,(H2,16,17,19)
InChIKeyZLFJIJLWWMNXNY-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.17
Rot. Bonds5

About 1-(3-ethylphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea

1-(3-ethylphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea (PubChem CID 111442955) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea.

Molecular Properties

Compound Name1-(3-ethylphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
PubChem CID111442955
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-(3-ethylphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
SMILESCCc1cccc(NC(=O)NCC(O)c2ccsc2)c1
InChIInChI=1S/C15H18N2O2S/c1-2-11-4-3-5-13(8-11)17-15(19)16-9-14(18)12-6-7-20-10-12/h3-8,10,14,18H,2,9H2,1H3,(H2,16,17,19)
InChIKeyZLFJIJLWWMNXNY-UHFFFAOYSA-N
XLogP3.17
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 51944765
1-(3-butoxyphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111443170
1-(4-fluorophenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 90496696
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(3-propan-2-ylphenyl)oxamide
CID 111444404
1-(3-ethylphenyl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111431114
4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 90496459
1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441023
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea
CID 103686059
1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(3-ethylphenyl)urea
CID 51944769
1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111443346
1-[4-(difluoromethoxy)phenyl]-3-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]urea
CID 95774476
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methoxyphenyl)urea
CID 52992664

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
The IUPAC name of 1-(3-ethylphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea (CID 111442955) is 1-(3-ethylphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea.
What is the SMILES notation for 1-(3-ethylphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
The canonical SMILES for 1-(3-ethylphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea is CCc1cccc(NC(=O)NCC(O)c2ccsc2)c1.
What is the InChIKey of 1-(3-ethylphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
The InChIKey is ZLFJIJLWWMNXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-2-11-4-3-5-13(8-11)17-15(19)16-9-14(18)12-6-7-20-10-12/h3-8,10,14,18H,2,9H2,1H3,(H2,16,17,19).
What are the key properties of 1-(3-ethylphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
1-(3-ethylphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea has a molecular weight of 290.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea is sourced from PubChem (CID 111442955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).