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

C15H14F3N3O3S — CID 70358524

IUPAC1-methyl-3-[[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]carbamoyl]urea
SMILESCNC(=O)NC(=O)Nc1ccc(Oc2cc(C(F)(F)F)cs2)c(C)c1
InChIInChI=1S/C15H14F3N3O3S/c1-8-5-10(20-14(23)21-13(22)19-2)3-4-11(8)24-12-6-9(7-25-12)15(16,17)18/h3-7H,1-2H3,(H3,19,20,21,22,23)
InChIKeyKCCIPMAOKDFAML-UHFFFAOYSA-N
MW373.36 g/mol
LogP4.33
Rot. Bonds3

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

1-methyl-3-[[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]carbamoyl]urea (PubChem CID 70358524) has the molecular formula C15H14F3N3O3S and a molecular weight of 373.36 g/mol. Its IUPAC name is 1-methyl-3-[[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]carbamoyl]urea.

Molecular Properties

Compound Name1-methyl-3-[[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]carbamoyl]urea
PubChem CID70358524
Molecular FormulaC15H14F3N3O3S
Molecular Weight373.36 g/mol
Exact Mass373.07
IUPAC Name1-methyl-3-[[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]carbamoyl]urea
SMILESCNC(=O)NC(=O)Nc1ccc(Oc2cc(C(F)(F)F)cs2)c(C)c1
InChIInChI=1S/C15H14F3N3O3S/c1-8-5-10(20-14(23)21-13(22)19-2)3-4-11(8)24-12-6-9(7-25-12)15(16,17)18/h3-7H,1-2H3,(H3,19,20,21,22,23)
InChIKeyKCCIPMAOKDFAML-UHFFFAOYSA-N
XLogP4.33
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]carbamoyl]urea?
The IUPAC name of 1-methyl-3-[[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]carbamoyl]urea (CID 70358524) is 1-methyl-3-[[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]carbamoyl]urea.
What is the SMILES notation for 1-methyl-3-[[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]carbamoyl]urea?
The canonical SMILES for 1-methyl-3-[[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]carbamoyl]urea is CNC(=O)NC(=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]carbamoyl]urea?
The InChIKey is KCCIPMAOKDFAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3S/c1-8-5-10(20-14(23)21-13(22)19-2)3-4-11(8)24-12-6-9(7-25-12)15(16,17)18/h3-7H,1-2H3,(H3,19,20,21,22,23).
What are the key properties of 1-methyl-3-[[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]carbamoyl]urea?
1-methyl-3-[[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]carbamoyl]urea has a molecular weight of 373.36 g/mol, XLogP of 4.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]carbamoyl]urea is sourced from PubChem (CID 70358524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).