1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[(5-methylthiophen-2-yl)methyl]urea

C16H18F2N2O2S — CID 111334569

IUPAC1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[(5-methylthiophen-2-yl)methyl]urea
SMILESCc1ccc(CNC(=O)NCC(C)(O)c2ccc(F)cc2F)s1
InChIInChI=1S/C16H18F2N2O2S/c1-10-3-5-12(23-10)8-19-15(21)20-9-16(2,22)13-6-4-11(17)7-14(13)18/h3-7,22H,8-9H2,1-2H3,(H2,19,20,21)
InChIKeyQYZIJWGRRMNZDJ-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.04
Rot. Bonds5

About 1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[(5-methylthiophen-2-yl)methyl]urea

1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[(5-methylthiophen-2-yl)methyl]urea (PubChem CID 111334569) has the molecular formula C16H18F2N2O2S and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[(5-methylthiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[(5-methylthiophen-2-yl)methyl]urea
PubChem CID111334569
Molecular FormulaC16H18F2N2O2S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[(5-methylthiophen-2-yl)methyl]urea
SMILESCc1ccc(CNC(=O)NCC(C)(O)c2ccc(F)cc2F)s1
InChIInChI=1S/C16H18F2N2O2S/c1-10-3-5-12(23-10)8-19-15(21)20-9-16(2,22)13-6-4-11(17)7-14(13)18/h3-7,22H,8-9H2,1-2H3,(H2,19,20,21)
InChIKeyQYZIJWGRRMNZDJ-UHFFFAOYSA-N
XLogP3.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-(4-fluoro-2-methylphenyl)urea
CID 111335598
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide
CID 111335414
1-(1-cyclobutylethyl)-3-[2-(2,4-difluorophenyl)-2-hydroxypropyl]urea
CID 109491044
1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea
CID 109397194
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide
CID 95320611
2-(4-chlorophenyl)-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]acetamide
CID 111335471
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-hydroxy-4-methylbenzamide
CID 110014829
1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
CID 111334591
5-fluoro-2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 79523994
(2S)-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methyl-3-methylsulfanylpropanamide
CID 96549103
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-thiazole-4-carboxamide
CID 111335295
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide
CID 95627816

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[(5-methylthiophen-2-yl)methyl]urea?
The IUPAC name of 1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[(5-methylthiophen-2-yl)methyl]urea (CID 111334569) is 1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[(5-methylthiophen-2-yl)methyl]urea.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[(5-methylthiophen-2-yl)methyl]urea?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[(5-methylthiophen-2-yl)methyl]urea is Cc1ccc(CNC(=O)NCC(C)(O)c2ccc(F)cc2F)s1.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[(5-methylthiophen-2-yl)methyl]urea?
The InChIKey is QYZIJWGRRMNZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O2S/c1-10-3-5-12(23-10)8-19-15(21)20-9-16(2,22)13-6-4-11(17)7-14(13)18/h3-7,22H,8-9H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[(5-methylthiophen-2-yl)methyl]urea?
1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[(5-methylthiophen-2-yl)methyl]urea has a molecular weight of 340.40 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[(5-methylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 111334569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).