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

C15H14F3N3O3S — CID 70358676

IUPAC1-carbamoyl-1-methyl-3-[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]urea
SMILESCc1cc(NC(=O)N(C)C(N)=O)ccc1Oc1cc(C(F)(F)F)cs1
InChIInChI=1S/C15H14F3N3O3S/c1-8-5-10(20-14(23)21(2)13(19)22)3-4-11(8)24-12-6-9(7-25-12)15(16,17)18/h3-7H,1-2H3,(H2,19,22)(H,20,23)
InChIKeyQQZIURGDLGDFAY-UHFFFAOYSA-N
MW373.36 g/mol
LogP4.41
Rot. Bonds3

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

1-carbamoyl-1-methyl-3-[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]urea (PubChem CID 70358676) has the molecular formula C15H14F3N3O3S and a molecular weight of 373.36 g/mol. Its IUPAC name is 1-carbamoyl-1-methyl-3-[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]urea.

Molecular Properties

Compound Name1-carbamoyl-1-methyl-3-[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]urea
PubChem CID70358676
Molecular FormulaC15H14F3N3O3S
Molecular Weight373.36 g/mol
Exact Mass373.07
IUPAC Name1-carbamoyl-1-methyl-3-[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]urea
SMILESCc1cc(NC(=O)N(C)C(N)=O)ccc1Oc1cc(C(F)(F)F)cs1
InChIInChI=1S/C15H14F3N3O3S/c1-8-5-10(20-14(23)21(2)13(19)22)3-4-11(8)24-12-6-9(7-25-12)15(16,17)18/h3-7H,1-2H3,(H2,19,22)(H,20,23)
InChIKeyQQZIURGDLGDFAY-UHFFFAOYSA-N
XLogP4.41
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-carbamoyl-1-methyl-3-[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]urea?
The IUPAC name of 1-carbamoyl-1-methyl-3-[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]urea (CID 70358676) is 1-carbamoyl-1-methyl-3-[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]urea.
What is the SMILES notation for 1-carbamoyl-1-methyl-3-[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]urea?
The canonical SMILES for 1-carbamoyl-1-methyl-3-[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]urea is Cc1cc(NC(=O)N(C)C(N)=O)ccc1Oc1cc(C(F)(F)F)cs1.
What is the InChIKey of 1-carbamoyl-1-methyl-3-[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]urea?
The InChIKey is QQZIURGDLGDFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3S/c1-8-5-10(20-14(23)21(2)13(19)22)3-4-11(8)24-12-6-9(7-25-12)15(16,17)18/h3-7H,1-2H3,(H2,19,22)(H,20,23).
What are the key properties of 1-carbamoyl-1-methyl-3-[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]urea?
1-carbamoyl-1-methyl-3-[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]urea has a molecular weight of 373.36 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamoyl-1-methyl-3-[3-methyl-4-[4-(trifluoromethyl)thiophen-2-yl]oxyphenyl]urea is sourced from PubChem (CID 70358676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).