3-(2,6-difluorophenyl)-1-(3-ethylsulfanylcyclopentyl)-1-methylurea

C15H20F2N2OS — CID 75379365

IUPAC3-(2,6-difluorophenyl)-1-(3-ethylsulfanylcyclopentyl)-1-methylurea
SMILESCCSC1CCC(N(C)C(=O)Nc2c(F)cccc2F)C1
InChIInChI=1S/C15H20F2N2OS/c1-3-21-11-8-7-10(9-11)19(2)15(20)18-14-12(16)5-4-6-13(14)17/h4-6,10-11H,3,7-9H2,1-2H3,(H,18,20)
InChIKeyVQUIEMMQQPWDRU-UHFFFAOYSA-N
MW314.40 g/mol
LogP4.10
Rot. Bonds4

About 3-(2,6-difluorophenyl)-1-(3-ethylsulfanylcyclopentyl)-1-methylurea

3-(2,6-difluorophenyl)-1-(3-ethylsulfanylcyclopentyl)-1-methylurea (PubChem CID 75379365) has the molecular formula C15H20F2N2OS and a molecular weight of 314.40 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-1-(3-ethylsulfanylcyclopentyl)-1-methylurea.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-1-(3-ethylsulfanylcyclopentyl)-1-methylurea
PubChem CID75379365
Molecular FormulaC15H20F2N2OS
Molecular Weight314.40 g/mol
Exact Mass314.13
IUPAC Name3-(2,6-difluorophenyl)-1-(3-ethylsulfanylcyclopentyl)-1-methylurea
SMILESCCSC1CCC(N(C)C(=O)Nc2c(F)cccc2F)C1
InChIInChI=1S/C15H20F2N2OS/c1-3-21-11-8-7-10(9-11)19(2)15(20)18-14-12(16)5-4-6-13(14)17/h4-6,10-11H,3,7-9H2,1-2H3,(H,18,20)
InChIKeyVQUIEMMQQPWDRU-UHFFFAOYSA-N
XLogP4.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(ethoxymethyl)phenyl]-1-[(1R,3R)-3-ethylsulfanylcyclopentyl]-1-methylurea
CID 97320497
N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(propanoylamino)benzamide
CID 97095251
1-[(1R,3S)-3-ethylsulfanylcyclopentyl]-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 97058827
3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(3-ethylsulfanylcyclopentyl)-1-methylurea
CID 71920743
1-[(1R,3R)-3-ethylsulfanylcyclopentyl]-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 97223816
1-(3-ethylsulfanylcyclopentyl)-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 75379207
(2S)-2-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylpropanamide;hydrochloride
CID 119342646
2-[3-[(3-ethylsulfanylcyclopentyl)-methylcarbamoyl]phenoxy]acetic acid
CID 119187152
N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-2-iodo-N-methyl-3-nitrobenzamide
CID 99783416
N-(3-ethylsulfanylcyclopentyl)-2-iodo-N-methyl-3-nitrobenzamide
CID 91648119
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-1-methylurea
CID 97223648
N-(3-ethylsulfanylcyclopentyl)-N,6-dimethylpyridine-3-carboxamide
CID 71993569

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-1-(3-ethylsulfanylcyclopentyl)-1-methylurea?
The IUPAC name of 3-(2,6-difluorophenyl)-1-(3-ethylsulfanylcyclopentyl)-1-methylurea (CID 75379365) is 3-(2,6-difluorophenyl)-1-(3-ethylsulfanylcyclopentyl)-1-methylurea.
What is the SMILES notation for 3-(2,6-difluorophenyl)-1-(3-ethylsulfanylcyclopentyl)-1-methylurea?
The canonical SMILES for 3-(2,6-difluorophenyl)-1-(3-ethylsulfanylcyclopentyl)-1-methylurea is CCSC1CCC(N(C)C(=O)Nc2c(F)cccc2F)C1.
What is the InChIKey of 3-(2,6-difluorophenyl)-1-(3-ethylsulfanylcyclopentyl)-1-methylurea?
The InChIKey is VQUIEMMQQPWDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2OS/c1-3-21-11-8-7-10(9-11)19(2)15(20)18-14-12(16)5-4-6-13(14)17/h4-6,10-11H,3,7-9H2,1-2H3,(H,18,20).
What are the key properties of 3-(2,6-difluorophenyl)-1-(3-ethylsulfanylcyclopentyl)-1-methylurea?
3-(2,6-difluorophenyl)-1-(3-ethylsulfanylcyclopentyl)-1-methylurea has a molecular weight of 314.40 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-1-(3-ethylsulfanylcyclopentyl)-1-methylurea is sourced from PubChem (CID 75379365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).