N-hydroxy-2-[[1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide

C23H25N5O4S — CID 118005780

IUPACN-hydroxy-2-[[1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(Nc3ncc(C(=O)NO)cn3)(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H25N5O4S/c1-17-7-9-20(10-8-17)33(31,32)28-13-11-23(12-14-28,19-5-3-2-4-6-19)26-22-24-15-18(16-25-22)21(29)27-30/h2-10,15-16,30H,11-14H2,1H3,(H,27,29)(H,24,25,26)
InChIKeySDAUGTJHQZKRID-UHFFFAOYSA-N
MW467.55 g/mol
LogP2.70
Rot. Bonds6

About N-hydroxy-2-[[1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide

N-hydroxy-2-[[1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide (PubChem CID 118005780) has the molecular formula C23H25N5O4S and a molecular weight of 467.55 g/mol. Its IUPAC name is N-hydroxy-2-[[1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[[1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide
PubChem CID118005780
Molecular FormulaC23H25N5O4S
Molecular Weight467.55 g/mol
Exact Mass467.16
IUPAC NameN-hydroxy-2-[[1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(Nc3ncc(C(=O)NO)cn3)(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H25N5O4S/c1-17-7-9-20(10-8-17)33(31,32)28-13-11-23(12-14-28,19-5-3-2-4-6-19)26-22-24-15-18(16-25-22)21(29)27-30/h2-10,15-16,30H,11-14H2,1H3,(H,27,29)(H,24,25,26)
InChIKeySDAUGTJHQZKRID-UHFFFAOYSA-N
XLogP2.70
TPSA124.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[[1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[[1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide (CID 118005780) is N-hydroxy-2-[[1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[[1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[[1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(Nc3ncc(C(=O)NO)cn3)(c3ccccc3)CC2)cc1.
What is the InChIKey of N-hydroxy-2-[[1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide?
The InChIKey is SDAUGTJHQZKRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4S/c1-17-7-9-20(10-8-17)33(31,32)28-13-11-23(12-14-28,19-5-3-2-4-6-19)26-22-24-15-18(16-25-22)21(29)27-30/h2-10,15-16,30H,11-14H2,1H3,(H,27,29)(H,24,25,26).
What are the key properties of N-hydroxy-2-[[1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide?
N-hydroxy-2-[[1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide has a molecular weight of 467.55 g/mol, XLogP of 2.70, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[[1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 118005780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).