N-(3-cyclopentyloxyphenyl)-2,2,2-trifluoro-N-(pyrimidin-5-ylmethyl)ethanesulfonamide

C18H20F3N3O3S — CID 11704365

IUPACN-(3-cyclopentyloxyphenyl)-2,2,2-trifluoro-N-(pyrimidin-5-ylmethyl)ethanesulfonamide
SMILESO=S(=O)(CC(F)(F)F)N(Cc1cncnc1)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C18H20F3N3O3S/c19-18(20,21)12-28(25,26)24(11-14-9-22-13-23-10-14)15-4-3-7-17(8-15)27-16-5-1-2-6-16/h3-4,7-10,13,16H,1-2,5-6,11-12H2
InChIKeyKTGOFUPLLGQSBB-UHFFFAOYSA-N
MW415.44 g/mol
LogP3.70
Rot. Bonds7

About N-(3-cyclopentyloxyphenyl)-2,2,2-trifluoro-N-(pyrimidin-5-ylmethyl)ethanesulfonamide

N-(3-cyclopentyloxyphenyl)-2,2,2-trifluoro-N-(pyrimidin-5-ylmethyl)ethanesulfonamide (PubChem CID 11704365) has the molecular formula C18H20F3N3O3S and a molecular weight of 415.44 g/mol. Its IUPAC name is N-(3-cyclopentyloxyphenyl)-2,2,2-trifluoro-N-(pyrimidin-5-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxyphenyl)-2,2,2-trifluoro-N-(pyrimidin-5-ylmethyl)ethanesulfonamide
PubChem CID11704365
Molecular FormulaC18H20F3N3O3S
Molecular Weight415.44 g/mol
Exact Mass415.12
IUPAC NameN-(3-cyclopentyloxyphenyl)-2,2,2-trifluoro-N-(pyrimidin-5-ylmethyl)ethanesulfonamide
SMILESO=S(=O)(CC(F)(F)F)N(Cc1cncnc1)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C18H20F3N3O3S/c19-18(20,21)12-28(25,26)24(11-14-9-22-13-23-10-14)15-4-3-7-17(8-15)27-16-5-1-2-6-16/h3-4,7-10,13,16H,1-2,5-6,11-12H2
InChIKeyKTGOFUPLLGQSBB-UHFFFAOYSA-N
XLogP3.70
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 11362035
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CID 44335556
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CID 10093408
CID 10093408
CID 11531912
CID 11531912
CID 11560886
CID 11560886
CID 11568407
CID 11568407
CID 11582941
CID 11582941
CID 11669641
CID 11669641
CID 23521697
CID 23521697
CID 44335501
CID 44335501
CID 44335554
CID 44335554
CID 44335555
CID 44335555

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxyphenyl)-2,2,2-trifluoro-N-(pyrimidin-5-ylmethyl)ethanesulfonamide?
The IUPAC name of N-(3-cyclopentyloxyphenyl)-2,2,2-trifluoro-N-(pyrimidin-5-ylmethyl)ethanesulfonamide (CID 11704365) is N-(3-cyclopentyloxyphenyl)-2,2,2-trifluoro-N-(pyrimidin-5-ylmethyl)ethanesulfonamide.
What is the SMILES notation for N-(3-cyclopentyloxyphenyl)-2,2,2-trifluoro-N-(pyrimidin-5-ylmethyl)ethanesulfonamide?
The canonical SMILES for N-(3-cyclopentyloxyphenyl)-2,2,2-trifluoro-N-(pyrimidin-5-ylmethyl)ethanesulfonamide is O=S(=O)(CC(F)(F)F)N(Cc1cncnc1)c1cccc(OC2CCCC2)c1.
What is the InChIKey of N-(3-cyclopentyloxyphenyl)-2,2,2-trifluoro-N-(pyrimidin-5-ylmethyl)ethanesulfonamide?
The InChIKey is KTGOFUPLLGQSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O3S/c19-18(20,21)12-28(25,26)24(11-14-9-22-13-23-10-14)15-4-3-7-17(8-15)27-16-5-1-2-6-16/h3-4,7-10,13,16H,1-2,5-6,11-12H2.
What are the key properties of N-(3-cyclopentyloxyphenyl)-2,2,2-trifluoro-N-(pyrimidin-5-ylmethyl)ethanesulfonamide?
N-(3-cyclopentyloxyphenyl)-2,2,2-trifluoro-N-(pyrimidin-5-ylmethyl)ethanesulfonamide has a molecular weight of 415.44 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxyphenyl)-2,2,2-trifluoro-N-(pyrimidin-5-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 11704365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).