1-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(thiophen-2-ylmethyl)urea

C16H19FN2O2S — CID 71810708

IUPAC1-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(thiophen-2-ylmethyl)urea
SMILESCOC(C)(CNC(=O)NCc1cccs1)c1ccccc1F
InChIInChI=1S/C16H19FN2O2S/c1-16(21-2,13-7-3-4-8-14(13)17)11-19-15(20)18-10-12-6-5-9-22-12/h3-9H,10-11H2,1-2H3,(H2,18,19,20)
InChIKeyJZZBYYFCEZFXOQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.25
Rot. Bonds6

About 1-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(thiophen-2-ylmethyl)urea

1-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 71810708) has the molecular formula C16H19FN2O2S and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID71810708
Molecular FormulaC16H19FN2O2S
Molecular Weight322.41 g/mol
Exact Mass322.12
IUPAC Name1-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(thiophen-2-ylmethyl)urea
SMILESCOC(C)(CNC(=O)NCc1cccs1)c1ccccc1F
InChIInChI=1S/C16H19FN2O2S/c1-16(21-2,13-7-3-4-8-14(13)17)11-19-15(20)18-10-12-6-5-9-22-12/h3-9H,10-11H2,1-2H3,(H2,18,19,20)
InChIKeyJZZBYYFCEZFXOQ-UHFFFAOYSA-N
XLogP3.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-adamantyl)-3-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]urea
CID 97428542
1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)-2-methoxypropyl]urea
CID 90599413
N-benzyl-N'-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]oxamide
CID 97428501
ethyl N-[2-(2-fluorophenyl)-2-methoxypropyl]carbamate
CID 71810594
1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 97428539
N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-(trifluoromethyl)benzamide
CID 90599146
1-[(2-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 38159170
2-chloro-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]benzamide
CID 97428331
N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-propan-2-yloxamide
CID 90599312
2-ethoxy-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]acetamide
CID 97428304
N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 97428425
1-(thiophen-2-ylmethyl)-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea
CID 90498154

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(thiophen-2-ylmethyl)urea (CID 71810708) is 1-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(thiophen-2-ylmethyl)urea is COC(C)(CNC(=O)NCc1cccs1)c1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is JZZBYYFCEZFXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2S/c1-16(21-2,13-7-3-4-8-14(13)17)11-19-15(20)18-10-12-6-5-9-22-12/h3-9H,10-11H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(thiophen-2-ylmethyl)urea?
1-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 322.41 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 71810708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).