1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea

C15H16F2N2O3S — CID 111442981

IUPAC1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
SMILESCC(O)(CNC(=O)Nc1ccccc1OC(F)F)c1cccs1
InChIInChI=1S/C15H16F2N2O3S/c1-15(21,12-7-4-8-23-12)9-18-14(20)19-10-5-2-3-6-11(10)22-13(16)17/h2-8,13,21H,9H2,1H3,(H2,18,19,20)
InChIKeyPRCMQVQWRJQVIS-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.38
Rot. Bonds6

About 1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea

1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea (PubChem CID 111442981) has the molecular formula C15H16F2N2O3S and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
PubChem CID111442981
Molecular FormulaC15H16F2N2O3S
Molecular Weight342.37 g/mol
Exact Mass342.08
IUPAC Name1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
SMILESCC(O)(CNC(=O)Nc1ccccc1OC(F)F)c1cccs1
InChIInChI=1S/C15H16F2N2O3S/c1-15(21,12-7-4-8-23-12)9-18-14(20)19-10-5-2-3-6-11(10)22-13(16)17/h2-8,13,21H,9H2,1H3,(H2,18,19,20)
InChIKeyPRCMQVQWRJQVIS-UHFFFAOYSA-N
XLogP3.38
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(difluoromethoxy)phenyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111473215
1-(4-fluoro-2-prop-2-ynoxyphenyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111475239
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenoxypropanamide
CID 121085799
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-naphthalen-2-ylurea
CID 111442867
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea
CID 95899266
1-(2-hydroxy-2,2-dithiophen-2-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 119099265
1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111443503
2-hydroxy-2-methyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]propanoic acid
CID 122076220
3-[[2-(difluoromethoxy)phenyl]carbamoylamino]-3-methylbutanoic acid
CID 64701229
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-methoxy-1-phenylethyl)urea
CID 111443990
(E)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 96567011

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea (CID 111442981) is 1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea is CC(O)(CNC(=O)Nc1ccccc1OC(F)F)c1cccs1.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea?
The InChIKey is PRCMQVQWRJQVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O3S/c1-15(21,12-7-4-8-23-12)9-18-14(20)19-10-5-2-3-6-11(10)22-13(16)17/h2-8,13,21H,9H2,1H3,(H2,18,19,20).
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea?
1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea has a molecular weight of 342.37 g/mol, XLogP of 3.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea is sourced from PubChem (CID 111442981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).