1-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-(1-thiophen-2-ylpropan-2-yl)urea

C18H24N2O3S — CID 110904600

IUPAC1-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-(1-thiophen-2-ylpropan-2-yl)urea
SMILESCc1cccc(OCC(O)CNC(=O)NC(C)Cc2cccs2)c1
InChIInChI=1S/C18H24N2O3S/c1-13-5-3-6-16(9-13)23-12-15(21)11-19-18(22)20-14(2)10-17-7-4-8-24-17/h3-9,14-15,21H,10-12H2,1-2H3,(H2,19,20,22)
InChIKeyNSGVCZNEEMYEFS-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.73
Rot. Bonds8

About 1-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-(1-thiophen-2-ylpropan-2-yl)urea

1-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-(1-thiophen-2-ylpropan-2-yl)urea (PubChem CID 110904600) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-(1-thiophen-2-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-(1-thiophen-2-ylpropan-2-yl)urea
PubChem CID110904600
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name1-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-(1-thiophen-2-ylpropan-2-yl)urea
SMILESCc1cccc(OCC(O)CNC(=O)NC(C)Cc2cccs2)c1
InChIInChI=1S/C18H24N2O3S/c1-13-5-3-6-16(9-13)23-12-15(21)11-19-18(22)20-14(2)10-17-7-4-8-24-17/h3-9,14-15,21H,10-12H2,1-2H3,(H2,19,20,22)
InChIKeyNSGVCZNEEMYEFS-UHFFFAOYSA-N
XLogP2.73
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111260050
1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 94029464
1-benzyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110904579
1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 45497246
1-(4-fluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110904652
1-(2,3-dimethylphenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110907958
1-(3-methylphenoxy)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 3490148
2-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]propanamide
CID 111110453
2-[(1-thiophen-2-ylpropan-2-ylcarbamoylamino)methyl]butanoic acid
CID 65226264
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[1-(3-methylphenoxy)propan-2-yl]urea
CID 60569811
(2S)-2-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3,3-dimethylbutanamide
CID 119751623
N-[2-hydroxy-3-(3-methylphenoxy)propyl]piperidine-4-carboxamide
CID 119304938

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-(1-thiophen-2-ylpropan-2-yl)urea?
The IUPAC name of 1-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-(1-thiophen-2-ylpropan-2-yl)urea (CID 110904600) is 1-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-(1-thiophen-2-ylpropan-2-yl)urea.
What is the SMILES notation for 1-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-(1-thiophen-2-ylpropan-2-yl)urea?
The canonical SMILES for 1-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-(1-thiophen-2-ylpropan-2-yl)urea is Cc1cccc(OCC(O)CNC(=O)NC(C)Cc2cccs2)c1.
What is the InChIKey of 1-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-(1-thiophen-2-ylpropan-2-yl)urea?
The InChIKey is NSGVCZNEEMYEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-13-5-3-6-16(9-13)23-12-15(21)11-19-18(22)20-14(2)10-17-7-4-8-24-17/h3-9,14-15,21H,10-12H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-(1-thiophen-2-ylpropan-2-yl)urea?
1-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-(1-thiophen-2-ylpropan-2-yl)urea has a molecular weight of 348.47 g/mol, XLogP of 2.73, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-(1-thiophen-2-ylpropan-2-yl)urea is sourced from PubChem (CID 110904600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).