N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-(2,5-difluorophenyl)methanesulfonamide

C18H21F2N3O3S — CID 86263715

IUPACN-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-(2,5-difluorophenyl)methanesulfonamide
SMILESO=c1cc(C2CCCC2)ncn1CCNS(=O)(=O)Cc1cc(F)ccc1F
InChIInChI=1S/C18H21F2N3O3S/c19-15-5-6-16(20)14(9-15)11-27(25,26)22-7-8-23-12-21-17(10-18(23)24)13-3-1-2-4-13/h5-6,9-10,12-13,22H,1-4,7-8,11H2
InChIKeyLRTAYTSZNHRCLA-UHFFFAOYSA-N
MW397.45 g/mol
LogP2.30
Rot. Bonds7

About N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-(2,5-difluorophenyl)methanesulfonamide

N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-(2,5-difluorophenyl)methanesulfonamide (PubChem CID 86263715) has the molecular formula C18H21F2N3O3S and a molecular weight of 397.45 g/mol. Its IUPAC name is N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-(2,5-difluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-(2,5-difluorophenyl)methanesulfonamide
PubChem CID86263715
Molecular FormulaC18H21F2N3O3S
Molecular Weight397.45 g/mol
Exact Mass397.13
IUPAC NameN-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-(2,5-difluorophenyl)methanesulfonamide
SMILESO=c1cc(C2CCCC2)ncn1CCNS(=O)(=O)Cc1cc(F)ccc1F
InChIInChI=1S/C18H21F2N3O3S/c19-15-5-6-16(20)14(9-15)11-27(25,26)22-7-8-23-12-21-17(10-18(23)24)13-3-1-2-4-13/h5-6,9-10,12-13,22H,1-4,7-8,11H2
InChIKeyLRTAYTSZNHRCLA-UHFFFAOYSA-N
XLogP2.30
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-(2,5-difluorophenyl)methanesulfonamide?
The IUPAC name of N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-(2,5-difluorophenyl)methanesulfonamide (CID 86263715) is N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-(2,5-difluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-(2,5-difluorophenyl)methanesulfonamide?
The canonical SMILES for N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-(2,5-difluorophenyl)methanesulfonamide is O=c1cc(C2CCCC2)ncn1CCNS(=O)(=O)Cc1cc(F)ccc1F.
What is the InChIKey of N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-(2,5-difluorophenyl)methanesulfonamide?
The InChIKey is LRTAYTSZNHRCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O3S/c19-15-5-6-16(20)14(9-15)11-27(25,26)22-7-8-23-12-21-17(10-18(23)24)13-3-1-2-4-13/h5-6,9-10,12-13,22H,1-4,7-8,11H2.
What are the key properties of N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-(2,5-difluorophenyl)methanesulfonamide?
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-(2,5-difluorophenyl)methanesulfonamide has a molecular weight of 397.45 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-(2,5-difluorophenyl)methanesulfonamide is sourced from PubChem (CID 86263715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).