1-[[4-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea

C14H14F2N2O2S — CID 134061161

IUPAC1-[[4-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1ccc(OC(F)F)cc1)NCc1cccs1
InChIInChI=1S/C14H14F2N2O2S/c15-13(16)20-11-5-3-10(4-6-11)8-17-14(19)18-9-12-2-1-7-21-12/h1-7,13H,8-9H2,(H2,17,18,19)
InChIKeyWXRDWAABAGIKNU-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.35
Rot. Bonds6

About 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea

1-[[4-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 134061161) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID134061161
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC Name1-[[4-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1ccc(OC(F)F)cc1)NCc1cccs1
InChIInChI=1S/C14H14F2N2O2S/c15-13(16)20-11-5-3-10(4-6-11)8-17-14(19)18-9-12-2-1-7-21-12/h1-7,13H,8-9H2,(H2,17,18,19)
InChIKeyWXRDWAABAGIKNU-UHFFFAOYSA-N
XLogP3.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 3700183
3-(difluoromethoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 2675191
N-[2-[[4-(difluoromethoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 42008667
1-[[4-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 36873297
1-[[3-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111259508
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984
1-[3-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methyl]urea
CID 55738771
2-[(4-methylphenyl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 46571619
4-[[4-(difluoromethoxy)phenyl]methylamino]-4-oxobutanoic acid
CID 54867549
(2S)-N-[[4-(difluoromethoxy)phenyl]methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 42006334
4-[(propan-2-ylcarbamoylamino)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 9374254
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119271340

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea (CID 134061161) is 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea is O=C(NCc1ccc(OC(F)F)cc1)NCc1cccs1.
What is the InChIKey of 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is WXRDWAABAGIKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c15-13(16)20-11-5-3-10(4-6-11)8-17-14(19)18-9-12-2-1-7-21-12/h1-7,13H,8-9H2,(H2,17,18,19).
What are the key properties of 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea?
1-[[4-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 312.34 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 134061161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).