(2S)-3-cyclopentyl-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide

C22H26F3N3O4S — CID 54581443

IUPAC(2S)-3-cyclopentyl-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCC(C)S(=O)(=O)c1ccn([C@@H](CC2CCCC2)C(=O)Nc2ccc(C(F)(F)F)cn2)c(=O)c1
InChIInChI=1S/C22H26F3N3O4S/c1-14(2)33(31,32)17-9-10-28(20(29)12-17)18(11-15-5-3-4-6-15)21(30)27-19-8-7-16(13-26-19)22(23,24)25/h7-10,12-15,18H,3-6,11H2,1-2H3,(H,26,27,30)/t18-/m0/s1
InChIKeyHCUPYDBBLCRYPK-SFHVURJKSA-N
MW485.53 g/mol
LogP4.20
Rot. Bonds7

About (2S)-3-cyclopentyl-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide

(2S)-3-cyclopentyl-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 54581443) has the molecular formula C22H26F3N3O4S and a molecular weight of 485.53 g/mol. Its IUPAC name is (2S)-3-cyclopentyl-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name(2S)-3-cyclopentyl-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID54581443
Molecular FormulaC22H26F3N3O4S
Molecular Weight485.53 g/mol
Exact Mass485.16
IUPAC Name(2S)-3-cyclopentyl-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCC(C)S(=O)(=O)c1ccn([C@@H](CC2CCCC2)C(=O)Nc2ccc(C(F)(F)F)cn2)c(=O)c1
InChIInChI=1S/C22H26F3N3O4S/c1-14(2)33(31,32)17-9-10-28(20(29)12-17)18(11-15-5-3-4-6-15)21(30)27-19-8-7-16(13-26-19)22(23,24)25/h7-10,12-15,18H,3-6,11H2,1-2H3,(H,26,27,30)/t18-/m0/s1
InChIKeyHCUPYDBBLCRYPK-SFHVURJKSA-N
XLogP4.20
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.53
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-3-cyclopentyl-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide with MolForge

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Related Compounds

Velneperit
CID 20629114
(S)-3-cyclopentyl-2-(4-(isopropylsulfonyl)-2-oxopyridin-1(2H)-yl)-N-(5-methylpyridin-2-yl)propanamide
CID 54580432
N-Cyclopentyl-N-[(4-fluoro-phenyl)-isopropylcarbamoyl-methyl]-N'-pyridin-2-yl-succinamide
CID 3204932
(S)-2-(4-(cyclobutylsulfonyl)-2-oxopyridin-1(2H)-yl)-3-cyclopentyl-N-(5-methylpyridin-2-yl)propanamide
CID 54580433
(S)-2-(5-chloro-4-(isopropylsulfonyl)-2-oxopyridin-1(2H)-yl)-3-cyclopentyl-N-(5-methylpyridin-2-yl)propanamide
CID 54580434
(S)-2-(5-chloro-4-(methylsulfonyl)-2-oxopyridin-1(2H)-yl)-N-(5-chloropyridin-2-yl)-3-cyclopentylpropanamide
CID 54580435
(S)-3-cyclopentyl-N-(5-methylpyridin-2-yl)-2-(4-(methylsulfonyl)-2-oxopyridin-1(2H)-yl)propanamide
CID 54581442
(S)-3-cyclopentyl-2-(5-methyl-4-(methylsulfonyl)-2-oxopyridin-1(2H)-yl)-N-(5-methylpyridin-2-yl)propanamide
CID 54582448
(S)-3-cyclobutyl-2-(4-(isopropylsulfonyl)-2-oxopyridin-1(2H)-yl)-N-(5-methylpyridin-2-yl)propanamide
CID 54582449
(S)-3-(4,4-difluorocyclohexyl)-2-(4-(isopropylsulfonyl)-2-oxopyridin-1(2H)-yl)-N-(5-methylpyridin-2-yl)propanamide
CID 54582450
(S)-3-cyclopentyl-2-(4-(isopropylsulfonyl)-5-methyl-2-oxopyridin-1(2H)-yl)-N-(5-methylpyridin-2-yl)propanamide
CID 54583427
(S)-3-cyclopentyl-2-(4-(ethylsulfonyl)-2-oxopyridin-1(2H)-yl)-N-(5-methylpyridin-2-yl)propanamide
CID 54584389

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopentyl-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of (2S)-3-cyclopentyl-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide (CID 54581443) is (2S)-3-cyclopentyl-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for (2S)-3-cyclopentyl-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for (2S)-3-cyclopentyl-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide is CC(C)S(=O)(=O)c1ccn([C@@H](CC2CCCC2)C(=O)Nc2ccc(C(F)(F)F)cn2)c(=O)c1.
What is the InChIKey of (2S)-3-cyclopentyl-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is HCUPYDBBLCRYPK-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26F3N3O4S/c1-14(2)33(31,32)17-9-10-28(20(29)12-17)18(11-15-5-3-4-6-15)21(30)27-19-8-7-16(13-26-19)22(23,24)25/h7-10,12-15,18H,3-6,11H2,1-2H3,(H,26,27,30)/t18-/m0/s1.
What are the key properties of (2S)-3-cyclopentyl-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
(2S)-3-cyclopentyl-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 485.53 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopentyl-2-(2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 54581443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).