(2S)-2-(5-chloro-4-methylsulfonyl-2-oxo-1-pyridinyl)-N-(5-chloro-2-pyridinyl)-3-cyclopentylpropanamide

C19H21Cl2N3O4S — CID 54580435

IUPAC(2S)-2-(5-chloro-4-methylsulfonyl-2-oxo-1-pyridinyl)-N-(5-chloro-2-pyridinyl)-3-cyclopentylpropanamide
SMILESCS(=O)(=O)c1cc(=O)n([C@@H](CC2CCCC2)C(=O)Nc2ccc(Cl)cn2)cc1Cl
InChIInChI=1S/C19H21Cl2N3O4S/c1-29(27,28)16-9-18(25)24(11-14(16)21)15(8-12-4-2-3-5-12)19(26)23-17-7-6-13(20)10-22-17/h6-7,9-12,15H,2-5,8H2,1H3,(H,22,23,26)/t15-/m0/s1
InChIKeyGRSOLMTXMGKLRL-HNNXBMFYSA-N
MW458.37 g/mol
LogP3.71
Rot. Bonds6

About (2S)-2-(5-chloro-4-methylsulfonyl-2-oxo-1-pyridinyl)-N-(5-chloro-2-pyridinyl)-3-cyclopentylpropanamide

(2S)-2-(5-chloro-4-methylsulfonyl-2-oxo-1-pyridinyl)-N-(5-chloro-2-pyridinyl)-3-cyclopentylpropanamide (PubChem CID 54580435) has the molecular formula C19H21Cl2N3O4S and a molecular weight of 458.37 g/mol. Its IUPAC name is (2S)-2-(5-chloro-4-methylsulfonyl-2-oxo-1-pyridinyl)-N-(5-chloro-2-pyridinyl)-3-cyclopentylpropanamide.

Molecular Properties

Compound Name(2S)-2-(5-chloro-4-methylsulfonyl-2-oxo-1-pyridinyl)-N-(5-chloro-2-pyridinyl)-3-cyclopentylpropanamide
PubChem CID54580435
Molecular FormulaC19H21Cl2N3O4S
Molecular Weight458.37 g/mol
Exact Mass457.06
IUPAC Name(2S)-2-(5-chloro-4-methylsulfonyl-2-oxo-1-pyridinyl)-N-(5-chloro-2-pyridinyl)-3-cyclopentylpropanamide
SMILESCS(=O)(=O)c1cc(=O)n([C@@H](CC2CCCC2)C(=O)Nc2ccc(Cl)cn2)cc1Cl
InChIInChI=1S/C19H21Cl2N3O4S/c1-29(27,28)16-9-18(25)24(11-14(16)21)15(8-12-4-2-3-5-12)19(26)23-17-7-6-13(20)10-22-17/h6-7,9-12,15H,2-5,8H2,1H3,(H,22,23,26)/t15-/m0/s1
InChIKeyGRSOLMTXMGKLRL-HNNXBMFYSA-N
XLogP3.71
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-chloro-4-methylsulfonyl-2-oxo-1-pyridinyl)-N-(5-chloro-2-pyridinyl)-3-cyclopentylpropanamide?
The IUPAC name of (2S)-2-(5-chloro-4-methylsulfonyl-2-oxo-1-pyridinyl)-N-(5-chloro-2-pyridinyl)-3-cyclopentylpropanamide (CID 54580435) is (2S)-2-(5-chloro-4-methylsulfonyl-2-oxo-1-pyridinyl)-N-(5-chloro-2-pyridinyl)-3-cyclopentylpropanamide.
What is the SMILES notation for (2S)-2-(5-chloro-4-methylsulfonyl-2-oxo-1-pyridinyl)-N-(5-chloro-2-pyridinyl)-3-cyclopentylpropanamide?
The canonical SMILES for (2S)-2-(5-chloro-4-methylsulfonyl-2-oxo-1-pyridinyl)-N-(5-chloro-2-pyridinyl)-3-cyclopentylpropanamide is CS(=O)(=O)c1cc(=O)n([C@@H](CC2CCCC2)C(=O)Nc2ccc(Cl)cn2)cc1Cl.
What is the InChIKey of (2S)-2-(5-chloro-4-methylsulfonyl-2-oxo-1-pyridinyl)-N-(5-chloro-2-pyridinyl)-3-cyclopentylpropanamide?
The InChIKey is GRSOLMTXMGKLRL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O4S/c1-29(27,28)16-9-18(25)24(11-14(16)21)15(8-12-4-2-3-5-12)19(26)23-17-7-6-13(20)10-22-17/h6-7,9-12,15H,2-5,8H2,1H3,(H,22,23,26)/t15-/m0/s1.
What are the key properties of (2S)-2-(5-chloro-4-methylsulfonyl-2-oxo-1-pyridinyl)-N-(5-chloro-2-pyridinyl)-3-cyclopentylpropanamide?
(2S)-2-(5-chloro-4-methylsulfonyl-2-oxo-1-pyridinyl)-N-(5-chloro-2-pyridinyl)-3-cyclopentylpropanamide has a molecular weight of 458.37 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-chloro-4-methylsulfonyl-2-oxo-1-pyridinyl)-N-(5-chloro-2-pyridinyl)-3-cyclopentylpropanamide is sourced from PubChem (CID 54580435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).