1-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea

C15H16ClFN2O2S — CID 100730566

IUPAC1-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea
SMILESCO[C@H](CNC(=O)NCc1ccc(F)cc1)c1ccc(Cl)s1
InChIInChI=1S/C15H16ClFN2O2S/c1-21-12(13-6-7-14(16)22-13)9-19-15(20)18-8-10-2-4-11(17)5-3-10/h2-7,12H,8-9H2,1H3,(H2,18,19,20)/t12-/m1/s1
InChIKeyAQIQWSJJXFAEJH-GFCCVEGCSA-N
MW342.82 g/mol
LogP3.73
Rot. Bonds6

About 1-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea

1-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea (PubChem CID 100730566) has the molecular formula C15H16ClFN2O2S and a molecular weight of 342.82 g/mol. Its IUPAC name is 1-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea
PubChem CID100730566
Molecular FormulaC15H16ClFN2O2S
Molecular Weight342.82 g/mol
Exact Mass342.06
IUPAC Name1-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea
SMILESCO[C@H](CNC(=O)NCc1ccc(F)cc1)c1ccc(Cl)s1
InChIInChI=1S/C15H16ClFN2O2S/c1-21-12(13-6-7-14(16)22-13)9-19-15(20)18-8-10-2-4-11(17)5-3-10/h2-7,12H,8-9H2,1H3,(H2,18,19,20)/t12-/m1/s1
InChIKeyAQIQWSJJXFAEJH-GFCCVEGCSA-N
XLogP3.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.82
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea with MolForge

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 71810440
1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-(4-fluorophenyl)urea
CID 121180386
1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 71810443
N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 121180341
N-benzyl-N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]oxamide
CID 121180311
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-fluorophenoxy)acetamide
CID 121180122
1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea
CID 99876265
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]butanamide
CID 121180066
3-[(4-fluorophenyl)methylcarbamoylamino]-2-methoxypropanoic acid
CID 106109659
1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-(2-methylphenyl)urea
CID 91631086
1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyclohexylurea
CID 121180382
N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-propyloxamide
CID 121180303

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea (CID 100730566) is 1-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea is CO[C@H](CNC(=O)NCc1ccc(F)cc1)c1ccc(Cl)s1.
What is the InChIKey of 1-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea?
The InChIKey is AQIQWSJJXFAEJH-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16ClFN2O2S/c1-21-12(13-6-7-14(16)22-13)9-19-15(20)18-8-10-2-4-11(17)5-3-10/h2-7,12H,8-9H2,1H3,(H2,18,19,20)/t12-/m1/s1.
What are the key properties of 1-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea?
1-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea has a molecular weight of 342.82 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 100730566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).