1-(2-fluorophenyl)-3-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea

C15H17FN2O2S — CID 97417595

IUPAC1-(2-fluorophenyl)-3-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
SMILESCO[C@H](CNC(=O)Nc1ccccc1F)c1ccc(C)s1
InChIInChI=1S/C15H17FN2O2S/c1-10-7-8-14(21-10)13(20-2)9-17-15(19)18-12-6-4-3-5-11(12)16/h3-8,13H,9H2,1-2H3,(H2,17,18,19)/t13-/m1/s1
InChIKeyKNIYHFWLBMNKQT-CYBMUJFWSA-N
MW308.38 g/mol
LogP3.70
Rot. Bonds5

About 1-(2-fluorophenyl)-3-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea

1-(2-fluorophenyl)-3-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea (PubChem CID 97417595) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
PubChem CID97417595
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name1-(2-fluorophenyl)-3-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
SMILESCO[C@H](CNC(=O)Nc1ccccc1F)c1ccc(C)s1
InChIInChI=1S/C15H17FN2O2S/c1-10-7-8-14(21-10)13(20-2)9-17-15(19)18-12-6-4-3-5-11(12)16/h3-8,13H,9H2,1-2H3,(H2,17,18,19)/t13-/m1/s1
InChIKeyKNIYHFWLBMNKQT-CYBMUJFWSA-N
XLogP3.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-phenylurea
CID 90598631
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 90598595
1-(5-chloro-2-methoxyphenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 71810446
1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-(2-methylphenyl)urea
CID 91631086
N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide
CID 97417576
1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 71810440
1-(3-chlorophenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 90598641
1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 90598658
1-(3,4-dimethoxyphenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 90598650
1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 71810443
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3,3-diphenylpropanamide
CID 90598426
N'-(3-fluorophenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide
CID 90598559

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea (CID 97417595) is 1-(2-fluorophenyl)-3-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea is CO[C@H](CNC(=O)Nc1ccccc1F)c1ccc(C)s1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea?
The InChIKey is KNIYHFWLBMNKQT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-10-7-8-14(21-10)13(20-2)9-17-15(19)18-12-6-4-3-5-11(12)16/h3-8,13H,9H2,1-2H3,(H2,17,18,19)/t13-/m1/s1.
What are the key properties of 1-(2-fluorophenyl)-3-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea?
1-(2-fluorophenyl)-3-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea has a molecular weight of 308.38 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea is sourced from PubChem (CID 97417595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).