5-(difluoromethylsulfanylmethyl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide

C14H19F2NO3S — CID 115760047

IUPAC5-(difluoromethylsulfanylmethyl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)c1ccc(CSC(F)F)o1
InChIInChI=1S/C14H19F2NO3S/c1-17(9-14(19)6-2-3-7-14)12(18)11-5-4-10(20-11)8-21-13(15)16/h4-5,13,19H,2-3,6-9H2,1H3
InChIKeyFCRYLHFITJLMIG-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.11
Rot. Bonds6

About 5-(difluoromethylsulfanylmethyl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide

5-(difluoromethylsulfanylmethyl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide (PubChem CID 115760047) has the molecular formula C14H19F2NO3S and a molecular weight of 319.37 g/mol. Its IUPAC name is 5-(difluoromethylsulfanylmethyl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(difluoromethylsulfanylmethyl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide
PubChem CID115760047
Molecular FormulaC14H19F2NO3S
Molecular Weight319.37 g/mol
Exact Mass319.11
IUPAC Name5-(difluoromethylsulfanylmethyl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)c1ccc(CSC(F)F)o1
InChIInChI=1S/C14H19F2NO3S/c1-17(9-14(19)6-2-3-7-14)12(18)11-5-4-10(20-11)8-21-13(15)16/h4-5,13,19H,2-3,6-9H2,1H3
InChIKeyFCRYLHFITJLMIG-UHFFFAOYSA-N
XLogP3.11
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide
CID 115759837
2-[cyclopropyl-[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]acetic acid
CID 60827221
1-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 81158697
5-(difluoromethylsulfanylmethyl)furan-2-carbohydrazide
CID 43244787
5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylfuran-2-carboxamide
CID 114949579
2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]acetic acid
CID 43354351
2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]-prop-2-enylamino]acetic acid
CID 79257404
[5-(difluoromethylsulfanylmethyl)furan-2-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 43417503
N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-3-carboxamide
CID 115760185
[5-(difluoromethylsulfanylmethyl)furan-2-yl]methanol
CID 43753545
5-(difluoromethylsulfanylmethyl)-N-(2-hydroxy-2-methylbutyl)furan-2-carboxamide
CID 65112616
5-bromo-N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 115760620

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethylsulfanylmethyl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-(difluoromethylsulfanylmethyl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide (CID 115760047) is 5-(difluoromethylsulfanylmethyl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-(difluoromethylsulfanylmethyl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-(difluoromethylsulfanylmethyl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide is CN(CC1(O)CCCC1)C(=O)c1ccc(CSC(F)F)o1.
What is the InChIKey of 5-(difluoromethylsulfanylmethyl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide?
The InChIKey is FCRYLHFITJLMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3S/c1-17(9-14(19)6-2-3-7-14)12(18)11-5-4-10(20-11)8-21-13(15)16/h4-5,13,19H,2-3,6-9H2,1H3.
What are the key properties of 5-(difluoromethylsulfanylmethyl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide?
5-(difluoromethylsulfanylmethyl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethylsulfanylmethyl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 115760047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).