1-[3-(difluoromethylsulfanyl)phenyl]-3-(1-methylcyclohexyl)urea

C15H20F2N2OS — CID 75371994

IUPAC1-[3-(difluoromethylsulfanyl)phenyl]-3-(1-methylcyclohexyl)urea
SMILESCC1(NC(=O)Nc2cccc(SC(F)F)c2)CCCCC1
InChIInChI=1S/C15H20F2N2OS/c1-15(8-3-2-4-9-15)19-14(20)18-11-6-5-7-12(10-11)21-13(16)17/h5-7,10,13H,2-4,8-9H2,1H3,(H2,18,19,20)
InChIKeyASJVPPKWVDIUJN-UHFFFAOYSA-N
MW314.40 g/mol
LogP4.85
Rot. Bonds4

About 1-[3-(difluoromethylsulfanyl)phenyl]-3-(1-methylcyclohexyl)urea

1-[3-(difluoromethylsulfanyl)phenyl]-3-(1-methylcyclohexyl)urea (PubChem CID 75371994) has the molecular formula C15H20F2N2OS and a molecular weight of 314.40 g/mol. Its IUPAC name is 1-[3-(difluoromethylsulfanyl)phenyl]-3-(1-methylcyclohexyl)urea.

Molecular Properties

Compound Name1-[3-(difluoromethylsulfanyl)phenyl]-3-(1-methylcyclohexyl)urea
PubChem CID75371994
Molecular FormulaC15H20F2N2OS
Molecular Weight314.40 g/mol
Exact Mass314.13
IUPAC Name1-[3-(difluoromethylsulfanyl)phenyl]-3-(1-methylcyclohexyl)urea
SMILESCC1(NC(=O)Nc2cccc(SC(F)F)c2)CCCCC1
InChIInChI=1S/C15H20F2N2OS/c1-15(8-3-2-4-9-15)19-14(20)18-11-6-5-7-12(10-11)21-13(16)17/h5-7,10,13H,2-4,8-9H2,1H3,(H2,18,19,20)
InChIKeyASJVPPKWVDIUJN-UHFFFAOYSA-N
XLogP4.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(difluoromethylsulfanyl)phenyl]acetamide
CID 4963031
N-[3-(difluoromethylsulfanyl)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119770540
N-[3-(difluoromethylsulfanyl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119770523
1-[1-(methoxymethyl)cyclopentyl]-3-(3-methylsulfanylphenyl)urea
CID 72860999
3-amino-N-[3-(difluoromethylsulfanyl)phenyl]propanamide
CID 119315962
N-[3-(difluoromethylsulfanyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119770513
1-[3-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 72688028
4-[3-(difluoromethylsulfanyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133790
4-amino-N-[3-(difluoromethylsulfanyl)phenyl]butanamide
CID 119315980
1-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61196688
1-[3-(difluoromethylsulfanyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110929150
4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide
CID 120591462

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethylsulfanyl)phenyl]-3-(1-methylcyclohexyl)urea?
The IUPAC name of 1-[3-(difluoromethylsulfanyl)phenyl]-3-(1-methylcyclohexyl)urea (CID 75371994) is 1-[3-(difluoromethylsulfanyl)phenyl]-3-(1-methylcyclohexyl)urea.
What is the SMILES notation for 1-[3-(difluoromethylsulfanyl)phenyl]-3-(1-methylcyclohexyl)urea?
The canonical SMILES for 1-[3-(difluoromethylsulfanyl)phenyl]-3-(1-methylcyclohexyl)urea is CC1(NC(=O)Nc2cccc(SC(F)F)c2)CCCCC1.
What is the InChIKey of 1-[3-(difluoromethylsulfanyl)phenyl]-3-(1-methylcyclohexyl)urea?
The InChIKey is ASJVPPKWVDIUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2OS/c1-15(8-3-2-4-9-15)19-14(20)18-11-6-5-7-12(10-11)21-13(16)17/h5-7,10,13H,2-4,8-9H2,1H3,(H2,18,19,20).
What are the key properties of 1-[3-(difluoromethylsulfanyl)phenyl]-3-(1-methylcyclohexyl)urea?
1-[3-(difluoromethylsulfanyl)phenyl]-3-(1-methylcyclohexyl)urea has a molecular weight of 314.40 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethylsulfanyl)phenyl]-3-(1-methylcyclohexyl)urea is sourced from PubChem (CID 75371994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).