1-ethoxy-1-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]urea

C14H13F3N2O2S — CID 174764885

IUPAC1-ethoxy-1-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]urea
SMILESCCON(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccsc1
InChIInChI=1S/C14H13F3N2O2S/c1-2-21-19(12-6-7-22-9-12)13(20)18-11-5-3-4-10(8-11)14(15,16)17/h3-9H,2H2,1H3,(H,18,20)
InChIKeyXCHVZQIXXRHQSV-UHFFFAOYSA-N
MW330.33 g/mol
LogP4.76
Rot. Bonds4

About 1-ethoxy-1-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]urea

1-ethoxy-1-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 174764885) has the molecular formula C14H13F3N2O2S and a molecular weight of 330.33 g/mol. Its IUPAC name is 1-ethoxy-1-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-ethoxy-1-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID174764885
Molecular FormulaC14H13F3N2O2S
Molecular Weight330.33 g/mol
Exact Mass330.06
IUPAC Name1-ethoxy-1-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]urea
SMILESCCON(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccsc1
InChIInChI=1S/C14H13F3N2O2S/c1-2-21-19(12-6-7-22-9-12)13(20)18-11-5-3-4-10(8-11)14(15,16)17/h3-9H,2H2,1H3,(H,18,20)
InChIKeyXCHVZQIXXRHQSV-UHFFFAOYSA-N
XLogP4.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-1-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]urea
CID 174764880
1-[(2S)-butan-2-yl]-1-[4-[[(2S)-butan-2-yl]-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 98133141
1-ethyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]urea
CID 3346401
(2R)-2-[methyl(thiophen-3-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 25476161
1-methoxy-1-methyl-3-[3-(trifluoromethyl)phenyl]urea
CID 13424059
ethyl 3-amino-3-[3-(trifluoromethyl)anilino]prop-2-enoate
CID 2774309
4-methyl-N-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxy-N-thiophen-3-ylanilino)benzamide
CID 71071889
1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 878376
3-(diethylamino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109030749
1-(2-aminoethyl)-1-propyl-3-[3-(trifluoromethyl)phenyl]urea
CID 61349730
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 669889

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-ethoxy-1-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]urea (CID 174764885) is 1-ethoxy-1-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-ethoxy-1-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-ethoxy-1-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]urea is CCON(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccsc1.
What is the InChIKey of 1-ethoxy-1-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is XCHVZQIXXRHQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2S/c1-2-21-19(12-6-7-22-9-12)13(20)18-11-5-3-4-10(8-11)14(15,16)17/h3-9H,2H2,1H3,(H,18,20).
What are the key properties of 1-ethoxy-1-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]urea?
1-ethoxy-1-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 330.33 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-thiophen-3-yl-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 174764885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).