(3R)-1-[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide

C24H32N4O4S — CID 51960638

IUPAC(3R)-1-[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N2CCC[C@@H](C(=O)Nc3ccccn3)C2)cc1
InChIInChI=1S/C24H32N4O4S/c1-17(2)15-21(27-33(31,32)20-11-9-18(3)10-12-20)24(30)28-14-6-7-19(16-28)23(29)26-22-8-4-5-13-25-22/h4-5,8-13,17,19,21,27H,6-7,14-16H2,1-3H3,(H,25,26,29)/t19-,21-/m1/s1
InChIKeyFYWCMTIDZAVFJV-TZIWHRDSSA-N
MW472.61 g/mol
LogP2.96
Rot. Bonds8

About (3R)-1-[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide

(3R)-1-[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 51960638) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is (3R)-1-[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID51960638
Molecular FormulaC24H32N4O4S
Molecular Weight472.61 g/mol
Exact Mass472.21
IUPAC Name(3R)-1-[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N2CCC[C@@H](C(=O)Nc3ccccn3)C2)cc1
InChIInChI=1S/C24H32N4O4S/c1-17(2)15-21(27-33(31,32)20-11-9-18(3)10-12-20)24(30)28-14-6-7-19(16-28)23(29)26-22-8-4-5-13-25-22/h4-5,8-13,17,19,21,27H,6-7,14-16H2,1-3H3,(H,25,26,29)/t19-,21-/m1/s1
InChIKeyFYWCMTIDZAVFJV-TZIWHRDSSA-N
XLogP2.96
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide with MolForge

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Related Compounds

4-methyl-N-[4-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzenesulfonamide
CID 119490221
4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide
CID 25271984
N-[1-(3-ethoxypiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide
CID 47735927
N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide
CID 35510552
ethyl 3-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate
CID 46578071
(3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
CID 51927409
4-tert-butyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide
CID 110351459
N,N-dimethyl-2-[4-[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-1,4-diazepan-1-yl]acetamide
CID 55642077
1-(1-methylpyrrole-2-carbonyl)-N-pyridin-2-ylpiperidine-3-carboxamide
CID 126799508
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide
CID 155168701
4-methyl-N-[(2R)-4-methyl-1-[16-[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-1-oxopentan-2-yl]benzenesulfonamide
CID 124600524
[(2S)-2-[(4-methylphenyl)sulfonylamino]-5-oxo-5-(pyridin-2-ylamino)pentanoyl] (2S)-pyrrolidine-2-carboxylate
CID 90786903

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide (CID 51960638) is (3R)-1-[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N2CCC[C@@H](C(=O)Nc3ccccn3)C2)cc1.
What is the InChIKey of (3R)-1-[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is FYWCMTIDZAVFJV-TZIWHRDSSA-N. The full InChI is InChI=1S/C24H32N4O4S/c1-17(2)15-21(27-33(31,32)20-11-9-18(3)10-12-20)24(30)28-14-6-7-19(16-28)23(29)26-22-8-4-5-13-25-22/h4-5,8-13,17,19,21,27H,6-7,14-16H2,1-3H3,(H,25,26,29)/t19-,21-/m1/s1.
What are the key properties of (3R)-1-[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide?
(3R)-1-[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 472.61 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 51960638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).