N-hydroxy-2-[3-[3-phenylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propylamino]pyrimidine-5-carboxamide

C24H26F3N5O4S — CID 155469272

IUPACN-hydroxy-2-[3-[3-phenylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propylamino]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NCCCN(CCCc2ccccc2)S(=O)(=O)c2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C24H26F3N5O4S/c25-24(26,27)20-9-11-21(12-10-20)37(35,36)32(14-4-8-18-6-2-1-3-7-18)15-5-13-28-23-29-16-19(17-30-23)22(33)31-34/h1-3,6-7,9-12,16-17,34H,4-5,8,13-15H2,(H,31,33)(H,28,29,30)
InChIKeyJOMCQWMNPSACHX-UHFFFAOYSA-N
MW537.56 g/mol
LogP3.74
Rot. Bonds12

About N-hydroxy-2-[3-[3-phenylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propylamino]pyrimidine-5-carboxamide

N-hydroxy-2-[3-[3-phenylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propylamino]pyrimidine-5-carboxamide (PubChem CID 155469272) has the molecular formula C24H26F3N5O4S and a molecular weight of 537.56 g/mol. Its IUPAC name is N-hydroxy-2-[3-[3-phenylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[3-[3-phenylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propylamino]pyrimidine-5-carboxamide
PubChem CID155469272
Molecular FormulaC24H26F3N5O4S
Molecular Weight537.56 g/mol
Exact Mass537.17
IUPAC NameN-hydroxy-2-[3-[3-phenylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propylamino]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NCCCN(CCCc2ccccc2)S(=O)(=O)c2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C24H26F3N5O4S/c25-24(26,27)20-9-11-21(12-10-20)37(35,36)32(14-4-8-18-6-2-1-3-7-18)15-5-13-28-23-29-16-19(17-30-23)22(33)31-34/h1-3,6-7,9-12,16-17,34H,4-5,8,13-15H2,(H,31,33)(H,28,29,30)
InChIKeyJOMCQWMNPSACHX-UHFFFAOYSA-N
XLogP3.74
TPSA124.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.56
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[3-[3-phenylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[3-[3-phenylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propylamino]pyrimidine-5-carboxamide (CID 155469272) is N-hydroxy-2-[3-[3-phenylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[3-[3-phenylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[3-[3-phenylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propylamino]pyrimidine-5-carboxamide is O=C(NO)c1cnc(NCCCN(CCCc2ccccc2)S(=O)(=O)c2ccc(C(F)(F)F)cc2)nc1.
What is the InChIKey of N-hydroxy-2-[3-[3-phenylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propylamino]pyrimidine-5-carboxamide?
The InChIKey is JOMCQWMNPSACHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O4S/c25-24(26,27)20-9-11-21(12-10-20)37(35,36)32(14-4-8-18-6-2-1-3-7-18)15-5-13-28-23-29-16-19(17-30-23)22(33)31-34/h1-3,6-7,9-12,16-17,34H,4-5,8,13-15H2,(H,31,33)(H,28,29,30).
What are the key properties of N-hydroxy-2-[3-[3-phenylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propylamino]pyrimidine-5-carboxamide?
N-hydroxy-2-[3-[3-phenylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propylamino]pyrimidine-5-carboxamide has a molecular weight of 537.56 g/mol, XLogP of 3.74, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[3-[3-phenylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 155469272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).