(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanamide

C22H25ClN4O3S2 — CID 40810012

IUPAC(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanamide
SMILESCc1cc(C)c(C#N)c(S[C@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)n1
InChIInChI=1S/C22H25ClN4O3S2/c1-14-11-15(2)25-22(18(14)13-24)31-16(3)21(28)26-20-12-17(7-8-19(20)23)32(29,30)27-9-5-4-6-10-27/h7-8,11-12,16H,4-6,9-10H2,1-3H3,(H,26,28)/t16-/m1/s1
InChIKeyJSIFVZLWUQHDTF-MRXNPFEDSA-N
MW493.05 g/mol
LogP4.52
Rot. Bonds6

About (2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanamide

(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanamide (PubChem CID 40810012) has the molecular formula C22H25ClN4O3S2 and a molecular weight of 493.05 g/mol. Its IUPAC name is (2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanamide
PubChem CID40810012
Molecular FormulaC22H25ClN4O3S2
Molecular Weight493.05 g/mol
Exact Mass492.11
IUPAC Name(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanamide
SMILESCc1cc(C)c(C#N)c(S[C@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)n1
InChIInChI=1S/C22H25ClN4O3S2/c1-14-11-15(2)25-22(18(14)13-24)31-16(3)21(28)26-20-12-17(7-8-19(20)23)32(29,30)27-9-5-4-6-10-27/h7-8,11-12,16H,4-6,9-10H2,1-3H3,(H,26,28)/t16-/m1/s1
InChIKeyJSIFVZLWUQHDTF-MRXNPFEDSA-N
XLogP4.52
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.05
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 17443656
N-(2,5-dichlorophenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 46815261
(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 41272511
(2S)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 26193223
(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylpropanamide
CID 41190354
(2S)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 7761820
(2S)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 40939172
(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylpropanamide
CID 7858760
(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 7858761
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 3527093
(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135860127
(2R)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2,3,4-trifluorophenyl)propanamide
CID 40552294

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanamide?
The IUPAC name of (2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanamide (CID 40810012) is (2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanamide?
The canonical SMILES for (2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanamide is Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)n1.
What is the InChIKey of (2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanamide?
The InChIKey is JSIFVZLWUQHDTF-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25ClN4O3S2/c1-14-11-15(2)25-22(18(14)13-24)31-16(3)21(28)26-20-12-17(7-8-19(20)23)32(29,30)27-9-5-4-6-10-27/h7-8,11-12,16H,4-6,9-10H2,1-3H3,(H,26,28)/t16-/m1/s1.
What are the key properties of (2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanamide?
(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanamide has a molecular weight of 493.05 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanamide is sourced from PubChem (CID 40810012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).