[[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-formylamino] (4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate;N-[1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide

C49H59Cl2N13O11S2 — CID 159912363

IUPAC[[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-formylamino] (4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate;N-[1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide
SMILESO=CN(O)C(CCCc1ncccn1)CS(=O)(=O)N1CCN(c2ccc(Cl)cn2)CC1.O=CN(OC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)[C@@H](CCCc1ncccn1)CS(=O)(=O)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C30H34ClN7O7S.C19H25ClN6O4S/c31-24-10-11-28(34-19-24)35-14-16-36(17-15-35)46(42,43)21-25(8-4-9-27-32-12-5-13-33-27)37(22-39)45-30(41)38-26(20-44-29(38)40)18-23-6-2-1-3-7-23;20-16-5-6-19(23-13-16)24-9-11-25(12-10-24)31(29,30)14-17(26(28)15-27)3-1-4-18-21-7-2-8-22-18/h1-3,5-7,10-13,19,22,25-26H,4,8-9,14-18,20-21H2;2,5-8,13,15,17,28H,1,3-4,9-12,14H2/t25-,26-;/m0./s1
InChIKeyNXINXFNFTPRGNI-CCQIZPNASA-N
MW1141.13 g/mol
LogP4.16
Rot. Bonds23

About [[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-formylamino] (4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate;N-[1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide

[[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-formylamino] (4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate;N-[1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide (PubChem CID 159912363) has the molecular formula C49H59Cl2N13O11S2 and a molecular weight of 1141.13 g/mol. Its IUPAC name is [[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-formylamino] (4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate;N-[1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide.

Molecular Properties

Compound Name[[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-formylamino] (4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate;N-[1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide
PubChem CID159912363
Molecular FormulaC49H59Cl2N13O11S2
Molecular Weight1141.13 g/mol
Exact Mass1139.33
IUPAC Name[[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-formylamino] (4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate;N-[1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide
SMILESO=CN(O)C(CCCc1ncccn1)CS(=O)(=O)N1CCN(c2ccc(Cl)cn2)CC1.O=CN(OC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)[C@@H](CCCc1ncccn1)CS(=O)(=O)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C30H34ClN7O7S.C19H25ClN6O4S/c31-24-10-11-28(34-19-24)35-14-16-36(17-15-35)46(42,43)21-25(8-4-9-27-32-12-5-13-33-27)37(22-39)45-30(41)38-26(20-44-29(38)40)18-23-6-2-1-3-7-23;20-16-5-6-19(23-13-16)24-9-11-25(12-10-24)31(29,30)14-17(26(28)15-27)3-1-4-18-21-7-2-8-22-18/h1-3,5-7,10-13,19,22,25-26H,4,8-9,14-18,20-21H2;2,5-8,13,15,17,28H,1,3-4,9-12,14H2/t25-,26-;/m0./s1
InChIKeyNXINXFNFTPRGNI-CCQIZPNASA-N
XLogP4.16
TPSA275.27 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds23
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001141.13
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-formylamino] (4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate;N-[1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-4-pyrimidin-2-ylbutan-2-yl]-N-hydroxyformamide
CID 10204522
N-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]sulfonyloctan-2-yl]-N-hydroxyformamide
CID 163527589
N-[1-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide
CID 11755373
N-hydroxy-N-(1-methylsulfonyl-5-pyrimidin-2-ylpentan-2-yl)formamide;1-[5-(2-pyridin-2-ylethynyl)-2-pyridinyl]piperazine
CID 161290393
(4R)-4-benzyl-3-[3-(4-chlorophenyl)propanoyl]-1,3-oxazolidin-2-one
CID 69077529
1,6-bis[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,6-dione
CID 92642348
N-hydroxy-N-[1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylhept-3-yn-2-yl]formamide
CID 11588997
1-(5-chloro-2-pyridinyl)-4-(2-cyclopropylpropylsulfonyl)piperazine
CID 146149427
(2S)-N-hydroxy-2-[[4-[5-(2-pyridin-2-ylethynyl)-2-pyridinyl]piperazin-1-yl]sulfonylmethyl]-5-pyrimidin-2-ylpentanamide
CID 87909935
(4R)-4-benzyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one
CID 70251380
(4S)-4-benzyl-3-(4-cyclopropyl-1-prop-2-enylpyrrolidine-3-carbonyl)-1,3-oxazolidin-2-one
CID 70161692
N-hydroxy-N-[1-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-4-(trimethyl-λ4-sulfanyl)but-3-yn-2-yl]formamide
CID 143249464

Frequently Asked Questions

What is the IUPAC name of [[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-formylamino] (4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate;N-[1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide?
The IUPAC name of [[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-formylamino] (4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate;N-[1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide (CID 159912363) is [[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-formylamino] (4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate;N-[1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide.
What is the SMILES notation for [[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-formylamino] (4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate;N-[1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide?
The canonical SMILES for [[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-formylamino] (4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate;N-[1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide is O=CN(O)C(CCCc1ncccn1)CS(=O)(=O)N1CCN(c2ccc(Cl)cn2)CC1.O=CN(OC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)[C@@H](CCCc1ncccn1)CS(=O)(=O)N1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of [[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-formylamino] (4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate;N-[1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide?
The InChIKey is NXINXFNFTPRGNI-CCQIZPNASA-N. The full InChI is InChI=1S/C30H34ClN7O7S.C19H25ClN6O4S/c31-24-10-11-28(34-19-24)35-14-16-36(17-15-35)46(42,43)21-25(8-4-9-27-32-12-5-13-33-27)37(22-39)45-30(41)38-26(20-44-29(38)40)18-23-6-2-1-3-7-23;20-16-5-6-19(23-13-16)24-9-11-25(12-10-24)31(29,30)14-17(26(28)15-27)3-1-4-18-21-7-2-8-22-18/h1-3,5-7,10-13,19,22,25-26H,4,8-9,14-18,20-21H2;2,5-8,13,15,17,28H,1,3-4,9-12,14H2/t25-,26-;/m0./s1.
What are the key properties of [[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-formylamino] (4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate;N-[1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide?
[[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-formylamino] (4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate;N-[1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide has a molecular weight of 1141.13 g/mol, XLogP of 4.16, 23 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-formylamino] (4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate;N-[1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide is sourced from PubChem (CID 159912363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).