1-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea

C18H13F3N2O3S — CID 90612474

IUPAC1-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(NCc1ccc(C(=O)c2ccco2)s1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H13F3N2O3S/c19-18(20,21)11-3-5-12(6-4-11)23-17(25)22-10-13-7-8-15(27-13)16(24)14-2-1-9-26-14/h1-9H,10H2,(H2,22,23,25)
InChIKeyJGKCONTXCDEQRN-UHFFFAOYSA-N
MW394.37 g/mol
LogP4.91
Rot. Bonds5

About 1-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea

1-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 90612474) has the molecular formula C18H13F3N2O3S and a molecular weight of 394.37 g/mol. Its IUPAC name is 1-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID90612474
Molecular FormulaC18H13F3N2O3S
Molecular Weight394.37 g/mol
Exact Mass394.06
IUPAC Name1-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(NCc1ccc(C(=O)c2ccco2)s1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H13F3N2O3S/c19-18(20,21)11-3-5-12(6-4-11)23-17(25)22-10-13-7-8-15(27-13)16(24)14-2-1-9-26-14/h1-9H,10H2,(H2,22,23,25)
InChIKeyJGKCONTXCDEQRN-UHFFFAOYSA-N
XLogP4.91
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 90612194
1-[(5-benzoylthiophen-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 90613181
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]pyridine-4-carboxamide
CID 90612101
2,6-difluoro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 72717493
1-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-[(4-methoxyphenyl)methyl]urea
CID 90612463
(E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-(furan-2-yl)prop-2-enamide
CID 90612110
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-methylbutanamide
CID 72717480
1-[4-(trifluoromethyl)phenyl]-3-[[6-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]-2-pyridinyl]methyl]urea
CID 122226336
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71782647
(E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-phenylprop-2-enamide
CID 90612120
1-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 4565553
N-[2-[[4-(trifluoromethyl)phenyl]methylcarbamoylamino]ethyl]furan-2-carboxamide
CID 134006588

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea (CID 90612474) is 1-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea is O=C(NCc1ccc(C(=O)c2ccco2)s1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is JGKCONTXCDEQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O3S/c19-18(20,21)11-3-5-12(6-4-11)23-17(25)22-10-13-7-8-15(27-13)16(24)14-2-1-9-26-14/h1-9H,10H2,(H2,22,23,25).
What are the key properties of 1-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 394.37 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 90612474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).