1-cyclopropyl-4-[4-[3-[2,5-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide

C28H31F3N4O8S — CID 20620248

IUPAC1-cyclopropyl-4-[4-[3-[2,5-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
SMILESO=C1CN(c2ccc(OC(F)(F)F)cc2)C(=O)N1CCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCN(C3CC3)CC2)cc1
InChIInChI=1S/C28H31F3N4O8S/c29-28(30,31)43-22-6-4-20(5-7-22)35-18-24(36)34(26(35)38)14-1-17-42-21-8-10-23(11-9-21)44(40,41)27(25(37)32-39)12-15-33(16-13-27)19-2-3-19/h4-11,19,39H,1-3,12-18H2,(H,32,37)
InChIKeyDDUAQZUBUBIAPF-UHFFFAOYSA-N
MW640.64 g/mol
LogP3.10
Rot. Bonds11

About 1-cyclopropyl-4-[4-[3-[2,5-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide

1-cyclopropyl-4-[4-[3-[2,5-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide (PubChem CID 20620248) has the molecular formula C28H31F3N4O8S and a molecular weight of 640.64 g/mol. Its IUPAC name is 1-cyclopropyl-4-[4-[3-[2,5-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-4-[4-[3-[2,5-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
PubChem CID20620248
Molecular FormulaC28H31F3N4O8S
Molecular Weight640.64 g/mol
Exact Mass640.18
IUPAC Name1-cyclopropyl-4-[4-[3-[2,5-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
SMILESO=C1CN(c2ccc(OC(F)(F)F)cc2)C(=O)N1CCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCN(C3CC3)CC2)cc1
InChIInChI=1S/C28H31F3N4O8S/c29-28(30,31)43-22-6-4-20(5-7-22)35-18-24(36)34(26(35)38)14-1-17-42-21-8-10-23(11-9-21)44(40,41)27(25(37)32-39)12-15-33(16-13-27)19-2-3-19/h4-11,19,39H,1-3,12-18H2,(H,32,37)
InChIKeyDDUAQZUBUBIAPF-UHFFFAOYSA-N
XLogP3.10
TPSA145.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500640.64
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', '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 1-cyclopropyl-4-[4-[3-[2,5-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide?
The IUPAC name of 1-cyclopropyl-4-[4-[3-[2,5-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide (CID 20620248) is 1-cyclopropyl-4-[4-[3-[2,5-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide.
What is the SMILES notation for 1-cyclopropyl-4-[4-[3-[2,5-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide?
The canonical SMILES for 1-cyclopropyl-4-[4-[3-[2,5-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide is O=C1CN(c2ccc(OC(F)(F)F)cc2)C(=O)N1CCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCN(C3CC3)CC2)cc1.
What is the InChIKey of 1-cyclopropyl-4-[4-[3-[2,5-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide?
The InChIKey is DDUAQZUBUBIAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F3N4O8S/c29-28(30,31)43-22-6-4-20(5-7-22)35-18-24(36)34(26(35)38)14-1-17-42-21-8-10-23(11-9-21)44(40,41)27(25(37)32-39)12-15-33(16-13-27)19-2-3-19/h4-11,19,39H,1-3,12-18H2,(H,32,37).
What are the key properties of 1-cyclopropyl-4-[4-[3-[2,5-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide?
1-cyclopropyl-4-[4-[3-[2,5-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide has a molecular weight of 640.64 g/mol, XLogP of 3.10, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[4-[3-[2,5-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide is sourced from PubChem (CID 20620248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).