1-[1-(3-ethoxyphenyl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea

C18H24N2O3S — CID 111440971

IUPAC1-[1-(3-ethoxyphenyl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
SMILESCCOc1cccc(C(C)NC(=O)NCC(C)(O)c2cccs2)c1
InChIInChI=1S/C18H24N2O3S/c1-4-23-15-8-5-7-14(11-15)13(2)20-17(21)19-12-18(3,22)16-9-6-10-24-16/h5-11,13,22H,4,12H2,1-3H3,(H2,19,20,21)
InChIKeyIIGPXYFWHNYMLV-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.41
Rot. Bonds7

About 1-[1-(3-ethoxyphenyl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea

1-[1-(3-ethoxyphenyl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea (PubChem CID 111440971) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-[1-(3-ethoxyphenyl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea.

Molecular Properties

Compound Name1-[1-(3-ethoxyphenyl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
PubChem CID111440971
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name1-[1-(3-ethoxyphenyl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
SMILESCCOc1cccc(C(C)NC(=O)NCC(C)(O)c2cccs2)c1
InChIInChI=1S/C18H24N2O3S/c1-4-23-15-8-5-7-14(11-15)13(2)20-17(21)19-12-18(3,22)16-9-6-10-24-16/h5-11,13,22H,4,12H2,1-3H3,(H2,19,20,21)
InChIKeyIIGPXYFWHNYMLV-UHFFFAOYSA-N
XLogP3.41
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(R)-tert-butylsulfinyl]ethyl]-3-[(1R)-1-(3-ethoxyphenyl)ethyl]urea
CID 95344471
N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 94813101
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-methoxy-1-phenylethyl)urea
CID 111443990
2-acetamido-N-[1-(3-ethoxyphenyl)ethyl]acetamide
CID 75418201
1-[1-(3-ethoxyphenyl)ethyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110909256
1-(dicyclopropylmethyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111440963
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenoxypropanamide
CID 121085799
1-[2-(3-ethoxyphenoxy)ethyl]-3-(1-phenylethyl)urea
CID 112972965
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methoxybenzamide
CID 90499769
(2S)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(methylamino)propanamide
CID 125458965
3-[1-(3-ethoxyphenyl)ethyl]-1,1-diethylurea
CID 60600590
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methyl-4-phenoxybutanamide
CID 111519603

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethoxyphenyl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea?
The IUPAC name of 1-[1-(3-ethoxyphenyl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea (CID 111440971) is 1-[1-(3-ethoxyphenyl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea.
What is the SMILES notation for 1-[1-(3-ethoxyphenyl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea?
The canonical SMILES for 1-[1-(3-ethoxyphenyl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea is CCOc1cccc(C(C)NC(=O)NCC(C)(O)c2cccs2)c1.
What is the InChIKey of 1-[1-(3-ethoxyphenyl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea?
The InChIKey is IIGPXYFWHNYMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-4-23-15-8-5-7-14(11-15)13(2)20-17(21)19-12-18(3,22)16-9-6-10-24-16/h5-11,13,22H,4,12H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-[1-(3-ethoxyphenyl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea?
1-[1-(3-ethoxyphenyl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea has a molecular weight of 348.47 g/mol, XLogP of 3.41, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethoxyphenyl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea is sourced from PubChem (CID 111440971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).