(2S)-2-(5-chloro-2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide

C22H28ClN3O4S — CID 54580434

IUPAC(2S)-2-(5-chloro-2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](CC2CCCC2)n2cc(Cl)c(S(=O)(=O)C(C)C)cc2=O)nc1
InChIInChI=1S/C22H28ClN3O4S/c1-14(2)31(29,30)19-11-21(27)26(13-17(19)23)18(10-16-6-4-5-7-16)22(28)25-20-9-8-15(3)12-24-20/h8-9,11-14,16,18H,4-7,10H2,1-3H3,(H,24,25,28)/t18-/m0/s1
InChIKeyHUZSPMYJQXMODY-SFHVURJKSA-N
MW466.00 g/mol
LogP4.15
Rot. Bonds7

About (2S)-2-(5-chloro-2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide

(2S)-2-(5-chloro-2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide (PubChem CID 54580434) has the molecular formula C22H28ClN3O4S and a molecular weight of 466.00 g/mol. Its IUPAC name is (2S)-2-(5-chloro-2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(5-chloro-2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide
PubChem CID54580434
Molecular FormulaC22H28ClN3O4S
Molecular Weight466.00 g/mol
Exact Mass465.15
IUPAC Name(2S)-2-(5-chloro-2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](CC2CCCC2)n2cc(Cl)c(S(=O)(=O)C(C)C)cc2=O)nc1
InChIInChI=1S/C22H28ClN3O4S/c1-14(2)31(29,30)19-11-21(27)26(13-17(19)23)18(10-16-6-4-5-7-16)22(28)25-20-9-8-15(3)12-24-20/h8-9,11-14,16,18H,4-7,10H2,1-3H3,(H,24,25,28)/t18-/m0/s1
InChIKeyHUZSPMYJQXMODY-SFHVURJKSA-N
XLogP4.15
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.00
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-(5-chloro-2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-3-cyclopentyl-2-(4-(isopropylsulfonyl)-2-oxopyridin-1(2H)-yl)-N-(5-methylpyridin-2-yl)propanamide
CID 54580432
(S)-3-cyclopentyl-2-(4-(isopropylsulfonyl)-2-oxopyridin-1(2H)-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)propanamide
CID 54581443
(S)-2-(4-(cyclobutylsulfonyl)-2-oxopyridin-1(2H)-yl)-3-cyclopentyl-N-(5-methylpyridin-2-yl)propanamide
CID 54580433
(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
(S)-3-cyclopentyl-2-(4-(cyclopropylsulfonyl)-2-oxopyridin-1(2H)-yl)-N-(5-methylpyridin-2-yl)propanamide
CID 54584390
(S)-2-(3-chloro-4-(isopropylsulfonyl)-2-oxopyridin-1(2H)-yl)-3-cyclopentyl-N-(5-methylpyridin-2-yl)propanamide
CID 54584391

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-chloro-2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide?
The IUPAC name of (2S)-2-(5-chloro-2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide (CID 54580434) is (2S)-2-(5-chloro-2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for (2S)-2-(5-chloro-2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide?
The canonical SMILES for (2S)-2-(5-chloro-2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide is Cc1ccc(NC(=O)[C@H](CC2CCCC2)n2cc(Cl)c(S(=O)(=O)C(C)C)cc2=O)nc1.
What is the InChIKey of (2S)-2-(5-chloro-2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide?
The InChIKey is HUZSPMYJQXMODY-SFHVURJKSA-N. The full InChI is InChI=1S/C22H28ClN3O4S/c1-14(2)31(29,30)19-11-21(27)26(13-17(19)23)18(10-16-6-4-5-7-16)22(28)25-20-9-8-15(3)12-24-20/h8-9,11-14,16,18H,4-7,10H2,1-3H3,(H,24,25,28)/t18-/m0/s1.
What are the key properties of (2S)-2-(5-chloro-2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide?
(2S)-2-(5-chloro-2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide has a molecular weight of 466.00 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-chloro-2-oxo-4-propan-2-ylsulfonyl-1-pyridinyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 54580434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).