1-[2-(difluoromethoxy)-6-methylphenyl]-3-(2,2-dimethyl-1-thiophen-2-ylpropyl)urea

C18H22F2N2O2S — CID 56587117

IUPAC1-[2-(difluoromethoxy)-6-methylphenyl]-3-(2,2-dimethyl-1-thiophen-2-ylpropyl)urea
SMILESCc1cccc(OC(F)F)c1NC(=O)NC(c1cccs1)C(C)(C)C
InChIInChI=1S/C18H22F2N2O2S/c1-11-7-5-8-12(24-16(19)20)14(11)21-17(23)22-15(18(2,3)4)13-9-6-10-25-13/h5-10,15-16H,1-4H3,(H2,21,22,23)
InChIKeyBOMKQJILLDBBNX-UHFFFAOYSA-N
MW368.45 g/mol
LogP5.57
Rot. Bonds5

About 1-[2-(difluoromethoxy)-6-methylphenyl]-3-(2,2-dimethyl-1-thiophen-2-ylpropyl)urea

1-[2-(difluoromethoxy)-6-methylphenyl]-3-(2,2-dimethyl-1-thiophen-2-ylpropyl)urea (PubChem CID 56587117) has the molecular formula C18H22F2N2O2S and a molecular weight of 368.45 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-6-methylphenyl]-3-(2,2-dimethyl-1-thiophen-2-ylpropyl)urea.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-6-methylphenyl]-3-(2,2-dimethyl-1-thiophen-2-ylpropyl)urea
PubChem CID56587117
Molecular FormulaC18H22F2N2O2S
Molecular Weight368.45 g/mol
Exact Mass368.14
IUPAC Name1-[2-(difluoromethoxy)-6-methylphenyl]-3-(2,2-dimethyl-1-thiophen-2-ylpropyl)urea
SMILESCc1cccc(OC(F)F)c1NC(=O)NC(c1cccs1)C(C)(C)C
InChIInChI=1S/C18H22F2N2O2S/c1-11-7-5-8-12(24-16(19)20)14(11)21-17(23)22-15(18(2,3)4)13-9-6-10-25-13/h5-10,15-16H,1-4H3,(H2,21,22,23)
InChIKeyBOMKQJILLDBBNX-UHFFFAOYSA-N
XLogP5.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.45
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
CID 111790691
(2S)-2-amino-N-[2-(difluoromethoxy)-6-methylphenyl]propanamide;hydrochloride
CID 119312538
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-iodo-3-methylbenzamide
CID 55777692
1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111111724
1-[2-(difluoromethoxy)-6-methylphenyl]-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea
CID 75457913
1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(4-ethylsulfonylphenyl)urea
CID 167760551
1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)urea
CID 56554386
1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-phenylcyclobutyl)methyl]urea
CID 56586698
7-amino-N-[2-(difluoromethoxy)-6-methylphenyl]heptanamide
CID 119764624
1-[2-(difluoromethoxy)-6-methylphenyl]-3-[3-(4-fluorophenyl)sulfanylpropyl]urea
CID 56557413
1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea
CID 167800583
1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea
CID 56554524

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-6-methylphenyl]-3-(2,2-dimethyl-1-thiophen-2-ylpropyl)urea?
The IUPAC name of 1-[2-(difluoromethoxy)-6-methylphenyl]-3-(2,2-dimethyl-1-thiophen-2-ylpropyl)urea (CID 56587117) is 1-[2-(difluoromethoxy)-6-methylphenyl]-3-(2,2-dimethyl-1-thiophen-2-ylpropyl)urea.
What is the SMILES notation for 1-[2-(difluoromethoxy)-6-methylphenyl]-3-(2,2-dimethyl-1-thiophen-2-ylpropyl)urea?
The canonical SMILES for 1-[2-(difluoromethoxy)-6-methylphenyl]-3-(2,2-dimethyl-1-thiophen-2-ylpropyl)urea is Cc1cccc(OC(F)F)c1NC(=O)NC(c1cccs1)C(C)(C)C.
What is the InChIKey of 1-[2-(difluoromethoxy)-6-methylphenyl]-3-(2,2-dimethyl-1-thiophen-2-ylpropyl)urea?
The InChIKey is BOMKQJILLDBBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O2S/c1-11-7-5-8-12(24-16(19)20)14(11)21-17(23)22-15(18(2,3)4)13-9-6-10-25-13/h5-10,15-16H,1-4H3,(H2,21,22,23).
What are the key properties of 1-[2-(difluoromethoxy)-6-methylphenyl]-3-(2,2-dimethyl-1-thiophen-2-ylpropyl)urea?
1-[2-(difluoromethoxy)-6-methylphenyl]-3-(2,2-dimethyl-1-thiophen-2-ylpropyl)urea has a molecular weight of 368.45 g/mol, XLogP of 5.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-6-methylphenyl]-3-(2,2-dimethyl-1-thiophen-2-ylpropyl)urea is sourced from PubChem (CID 56587117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).