2-[4-benzyl-3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]pyrimidine-5-carboxamide;bis(N-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide)

C91H96N22O18S4 — CID 158430108

IUPAC2-[4-benzyl-3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]pyrimidine-5-carboxamide;bis(N-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide)
SMILESO=C(NO)c1cnc(N2CCN(Cc3ccccc3)C(CNS(=O)(=O)c3ccc4ccccc4c3)C2)nc1.O=C(NO)c1cnc(N2CCNC(CNS(=O)(=O)c3ccc4ccccc4c3)C2)nc1.O=C(NO)c1cnc(N2CCO[C@H](CNS(=O)(=O)c3ccc(-c4ccccc4)cc3)C2)nc1.O=C(NO)c1cnc(N2CCO[C@H](CNS(=O)(=O)c3ccc(-c4ccccc4)cc3)C2)nc1
InChIInChI=1S/C27H28N6O4S.2C22H23N5O5S.C20H22N6O4S/c34-26(31-35)23-15-28-27(29-16-23)33-13-12-32(18-20-6-2-1-3-7-20)24(19-33)17-30-38(36,37)25-11-10-21-8-4-5-9-22(21)14-25;2*28-21(26-29)18-12-23-22(24-13-18)27-10-11-32-19(15-27)14-25-33(30,31)20-8-6-17(7-9-20)16-4-2-1-3-5-16;27-19(25-28)16-10-22-20(23-11-16)26-8-7-21-17(13-26)12-24-31(29,30)18-6-5-14-3-1-2-4-15(14)9-18/h1-11,14-16,24,30,35H,12-13,17-19H2,(H,31,34);2*1-9,12-13,19,25,29H,10-11,14-15H2,(H,26,28);1-6,9-11,17,21,24,28H,7-8,12-13H2,(H,25,27)/t;2*19-;/m.11./s1
InChIKeyHBNYJOGZFOJIDY-QCBHPXFHSA-N
MW1914.17 g/mol
LogP5.82
Rot. Bonds28

About 2-[4-benzyl-3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]pyrimidine-5-carboxamide;bis(N-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide)

2-[4-benzyl-3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]pyrimidine-5-carboxamide;bis(N-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide) (PubChem CID 158430108) has the molecular formula C91H96N22O18S4 and a molecular weight of 1914.17 g/mol. Its IUPAC name is 2-[4-benzyl-3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]pyrimidine-5-carboxamide;bis(N-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide).

Molecular Properties

Compound Name2-[4-benzyl-3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]pyrimidine-5-carboxamide;bis(N-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide)
PubChem CID158430108
Molecular FormulaC91H96N22O18S4
Molecular Weight1914.17 g/mol
Exact Mass1912.62
IUPAC Name2-[4-benzyl-3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]pyrimidine-5-carboxamide;bis(N-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide)
SMILESO=C(NO)c1cnc(N2CCN(Cc3ccccc3)C(CNS(=O)(=O)c3ccc4ccccc4c3)C2)nc1.O=C(NO)c1cnc(N2CCNC(CNS(=O)(=O)c3ccc4ccccc4c3)C2)nc1.O=C(NO)c1cnc(N2CCO[C@H](CNS(=O)(=O)c3ccc(-c4ccccc4)cc3)C2)nc1.O=C(NO)c1cnc(N2CCO[C@H](CNS(=O)(=O)c3ccc(-c4ccccc4)cc3)C2)nc1
InChIInChI=1S/C27H28N6O4S.2C22H23N5O5S.C20H22N6O4S/c34-26(31-35)23-15-28-27(29-16-23)33-13-12-32(18-20-6-2-1-3-7-20)24(19-33)17-30-38(36,37)25-11-10-21-8-4-5-9-22(21)14-25;2*28-21(26-29)18-12-23-22(24-13-18)27-10-11-32-19(15-27)14-25-33(30,31)20-8-6-17(7-9-20)16-4-2-1-3-5-16;27-19(25-28)16-10-22-20(23-11-16)26-8-7-21-17(13-26)12-24-31(29,30)18-6-5-14-3-1-2-4-15(14)9-18/h1-11,14-16,24,30,35H,12-13,17-19H2,(H,31,34);2*1-9,12-13,19,25,29H,10-11,14-15H2,(H,26,28);1-6,9-11,17,21,24,28H,7-8,12-13H2,(H,25,27)/t;2*19-;/m.11./s1
InChIKeyHBNYJOGZFOJIDY-QCBHPXFHSA-N
XLogP5.82
TPSA531.81 Ų
H-Bond Donors13
H-Bond Acceptors32
Rotatable Bonds28
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001914.17
LogP ≤ 55.82
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 2-[4-benzyl-3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]pyrimidine-5-carboxamide;bis(N-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide) with MolForge

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Launch Full Analysis

Related Compounds

N-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide
CID 10173631
N-hydroxy-2-[2-[(naphthalen-2-ylsulfonylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide
CID 10238353
2-[4-benzyl-3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 57846817
N-hydroxy-2-[4-[4-[2-(morpholin-4-ylmethyl)phenyl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide
CID 58845080
N-hydroxy-2-[6-[2-morpholin-4-ylethyl(naphthalen-2-ylsulfonyl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
CID 59367615
N-hydroxy-2-[4-[2-methoxyethyl(naphthalen-2-ylsulfonyl)amino]piperidin-1-yl]pyrimidine-5-carboxamide
CID 59421037
N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 59421042
N-hydroxy-2-[(3R,4S)-3-methoxy-4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide
CID 59421098
N-hydroxy-2-[2-methyl-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[2-[(naphthalen-2-ylsulfonylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[3-[(naphthalen-2-ylsulfonylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[2-[[(4-phenylbenzoyl)amino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide
CID 157429255
2-[4-[4-[3-[2-(dimethylamino)ethyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[4-[3-[2-[methyl(propan-2-yl)amino]ethyl]phenyl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide
CID 158231981
2-[4-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[4-[3-[[methyl(propan-2-yl)amino]methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[4-[3-(2-pyrrolidin-1-ylethyl)phenyl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide
CID 158544363
6-[(1-benzhydrylazetidin-3-yl)amino]-N-hydroxypyridine-3-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]amino]pyrimidine-5-carboxamide
CID 158647466

Frequently Asked Questions

What is the IUPAC name of 2-[4-benzyl-3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]pyrimidine-5-carboxamide;bis(N-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide)?
The IUPAC name of 2-[4-benzyl-3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]pyrimidine-5-carboxamide;bis(N-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide) (CID 158430108) is 2-[4-benzyl-3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]pyrimidine-5-carboxamide;bis(N-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide).
What is the SMILES notation for 2-[4-benzyl-3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]pyrimidine-5-carboxamide;bis(N-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide)?
The canonical SMILES for 2-[4-benzyl-3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]pyrimidine-5-carboxamide;bis(N-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide) is O=C(NO)c1cnc(N2CCN(Cc3ccccc3)C(CNS(=O)(=O)c3ccc4ccccc4c3)C2)nc1.O=C(NO)c1cnc(N2CCNC(CNS(=O)(=O)c3ccc4ccccc4c3)C2)nc1.O=C(NO)c1cnc(N2CCO[C@H](CNS(=O)(=O)c3ccc(-c4ccccc4)cc3)C2)nc1.O=C(NO)c1cnc(N2CCO[C@H](CNS(=O)(=O)c3ccc(-c4ccccc4)cc3)C2)nc1.
What is the InChIKey of 2-[4-benzyl-3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]pyrimidine-5-carboxamide;bis(N-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide)?
The InChIKey is HBNYJOGZFOJIDY-QCBHPXFHSA-N. The full InChI is InChI=1S/C27H28N6O4S.2C22H23N5O5S.C20H22N6O4S/c34-26(31-35)23-15-28-27(29-16-23)33-13-12-32(18-20-6-2-1-3-7-20)24(19-33)17-30-38(36,37)25-11-10-21-8-4-5-9-22(21)14-25;2*28-21(26-29)18-12-23-22(24-13-18)27-10-11-32-19(15-27)14-25-33(30,31)20-8-6-17(7-9-20)16-4-2-1-3-5-16;27-19(25-28)16-10-22-20(23-11-16)26-8-7-21-17(13-26)12-24-31(29,30)18-6-5-14-3-1-2-4-15(14)9-18/h1-11,14-16,24,30,35H,12-13,17-19H2,(H,31,34);2*1-9,12-13,19,25,29H,10-11,14-15H2,(H,26,28);1-6,9-11,17,21,24,28H,7-8,12-13H2,(H,25,27)/t;2*19-;/m.11./s1.
What are the key properties of 2-[4-benzyl-3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]pyrimidine-5-carboxamide;bis(N-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide)?
2-[4-benzyl-3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]pyrimidine-5-carboxamide;bis(N-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide) has a molecular weight of 1914.17 g/mol, XLogP of 5.82, 28 rotatable bonds, 13 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-benzyl-3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]pyrimidine-5-carboxamide;bis(N-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide) is sourced from PubChem (CID 158430108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).