1-methyl-3-[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]urea

C14H13F3N2O2S — CID 70358631

IUPAC1-methyl-3-[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]urea
SMILESCNC(=O)Nc1ccc(Oc2cc(C(F)(F)F)cs2)c(C)c1
InChIInChI=1S/C14H13F3N2O2S/c1-8-5-10(19-13(20)18-2)3-4-11(8)21-12-6-9(7-22-12)14(15,16)17/h3-7H,1-2H3,(H2,18,19,20)
InChIKeyZUMOQVPLJQPYSV-UHFFFAOYSA-N
MW330.33 g/mol
LogP4.62
Rot. Bonds3

About 1-methyl-3-[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]urea

1-methyl-3-[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]urea (PubChem CID 70358631) has the molecular formula C14H13F3N2O2S and a molecular weight of 330.33 g/mol. Its IUPAC name is 1-methyl-3-[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]urea.

Molecular Properties

Compound Name1-methyl-3-[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]urea
PubChem CID70358631
Molecular FormulaC14H13F3N2O2S
Molecular Weight330.33 g/mol
Exact Mass330.06
IUPAC Name1-methyl-3-[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]urea
SMILESCNC(=O)Nc1ccc(Oc2cc(C(F)(F)F)cs2)c(C)c1
InChIInChI=1S/C14H13F3N2O2S/c1-8-5-10(19-13(20)18-2)3-4-11(8)21-12-6-9(7-22-12)14(15,16)17/h3-7H,1-2H3,(H2,18,19,20)
InChIKeyZUMOQVPLJQPYSV-UHFFFAOYSA-N
XLogP4.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 68591
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CID 3235778
1-[(2-Ethoxyphenyl)methyl]-3-thiophen-2-ylurea
CID 3245967
1-[[3-[(4-Chlorophenoxy)methyl]thiophen-2-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 2739977
1-(2,2,4,4-Tetrafluoro-1,3-benzodioxin-6-yl)-3-(2-thiophen-2-ylethyl)urea
CID 3572043
1-(4-Butoxyphenyl)-3-(2-thiophen-2-ylethyl)urea
CID 3791278
1-(4-Ethoxyphenyl)-3-propyl-3-[(thiophen-2-YL)methyl]urea
CID 16016716
N1-(thiophen-3-ylmethyl)-N2-(4-(trifluoromethoxy)phenyl)oxalamide
CID 25868827
3-(2-Methoxyphenyl)-1-(thiophen-3-ylmethyl)-1-(2,2,2-trifluoroethyl)urea
CID 49717314
1-(4-Ethoxyphenyl)-3-(2-hydroxy-2-(thiophen-2-yl)propyl)urea
CID 71782512
N-(4-Benzyloxy-3-thiophen-2-yl-phenyl)-N''-methyl-guanidine
CID 44384385

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]urea?
The IUPAC name of 1-methyl-3-[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]urea (CID 70358631) is 1-methyl-3-[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]urea.
What is the SMILES notation for 1-methyl-3-[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]urea?
The canonical SMILES for 1-methyl-3-[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]urea is CNC(=O)Nc1ccc(Oc2cc(C(F)(F)F)cs2)c(C)c1.
What is the InChIKey of 1-methyl-3-[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]urea?
The InChIKey is ZUMOQVPLJQPYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2S/c1-8-5-10(19-13(20)18-2)3-4-11(8)21-12-6-9(7-22-12)14(15,16)17/h3-7H,1-2H3,(H2,18,19,20).
What are the key properties of 1-methyl-3-[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]urea?
1-methyl-3-[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]urea has a molecular weight of 330.33 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]urea is sourced from PubChem (CID 70358631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).