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

C14H14ClFN2O2S — CID 121180386

IUPAC1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-(4-fluorophenyl)urea
SMILESCOC(CNC(=O)Nc1ccc(F)cc1)c1ccc(Cl)s1
InChIInChI=1S/C14H14ClFN2O2S/c1-20-11(12-6-7-13(15)21-12)8-17-14(19)18-10-4-2-9(16)3-5-10/h2-7,11H,8H2,1H3,(H2,17,18,19)
InChIKeyLBFMJJBJCIXKNT-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.05
Rot. Bonds5

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

1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-(4-fluorophenyl)urea (PubChem CID 121180386) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is 1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-(4-fluorophenyl)urea
PubChem CID121180386
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC Name1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-(4-fluorophenyl)urea
SMILESCOC(CNC(=O)Nc1ccc(F)cc1)c1ccc(Cl)s1
InChIInChI=1S/C14H14ClFN2O2S/c1-20-11(12-6-7-13(15)21-12)8-17-14(19)18-10-4-2-9(16)3-5-10/h2-7,11H,8H2,1H3,(H2,17,18,19)
InChIKeyLBFMJJBJCIXKNT-UHFFFAOYSA-N
XLogP4.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea
CID 100730566
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-fluorophenoxy)acetamide
CID 121180122
1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-(2-methylphenyl)urea
CID 91631086
1-(4-fluorophenyl)-3-[(2R)-2-(furan-2-yl)-2-methoxyethyl]urea
CID 99876552
1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-phenylurea
CID 90598631
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]butanamide
CID 121180066
1-(4-fluorophenyl)-3-(2-methylpropyl)urea
CID 17390126
1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyclohexylurea
CID 121180382
N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-propyloxamide
CID 121180303
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
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylbenzamide
CID 91630971

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-(4-fluorophenyl)urea (CID 121180386) is 1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-(4-fluorophenyl)urea is COC(CNC(=O)Nc1ccc(F)cc1)c1ccc(Cl)s1.
What is the InChIKey of 1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-(4-fluorophenyl)urea?
The InChIKey is LBFMJJBJCIXKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c1-20-11(12-6-7-13(15)21-12)8-17-14(19)18-10-4-2-9(16)3-5-10/h2-7,11H,8H2,1H3,(H2,17,18,19).
What are the key properties of 1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-(4-fluorophenyl)urea?
1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-(4-fluorophenyl)urea has a molecular weight of 328.80 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 121180386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).