N-hydroxy-N-[[4-(2-pyridin-4-ylethoxy)phenyl]sulfonylamino]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-5-carboxamide

C20H21N3O7S — CID 90918824

IUPACN-hydroxy-N-[[4-(2-pyridin-4-ylethoxy)phenyl]sulfonylamino]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-5-carboxamide
SMILESO=C(C1=CC2OCOC2C1)N(O)NS(=O)(=O)c1ccc(OCCc2ccncc2)cc1
InChIInChI=1S/C20H21N3O7S/c24-20(15-11-18-19(12-15)30-13-29-18)23(25)22-31(26,27)17-3-1-16(2-4-17)28-10-7-14-5-8-21-9-6-14/h1-6,8-9,11,18-19,22,25H,7,10,12-13H2
InChIKeyDRPSUHJCSADDHW-UHFFFAOYSA-N
MW447.47 g/mol
LogP1.19
Rot. Bonds8

About N-hydroxy-N-[[4-(2-pyridin-4-ylethoxy)phenyl]sulfonylamino]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-5-carboxamide

N-hydroxy-N-[[4-(2-pyridin-4-ylethoxy)phenyl]sulfonylamino]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-5-carboxamide (PubChem CID 90918824) has the molecular formula C20H21N3O7S and a molecular weight of 447.47 g/mol. Its IUPAC name is N-hydroxy-N-[[4-(2-pyridin-4-ylethoxy)phenyl]sulfonylamino]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-N-[[4-(2-pyridin-4-ylethoxy)phenyl]sulfonylamino]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-5-carboxamide
PubChem CID90918824
Molecular FormulaC20H21N3O7S
Molecular Weight447.47 g/mol
Exact Mass447.11
IUPAC NameN-hydroxy-N-[[4-(2-pyridin-4-ylethoxy)phenyl]sulfonylamino]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-5-carboxamide
SMILESO=C(C1=CC2OCOC2C1)N(O)NS(=O)(=O)c1ccc(OCCc2ccncc2)cc1
InChIInChI=1S/C20H21N3O7S/c24-20(15-11-18-19(12-15)30-13-29-18)23(25)22-31(26,27)17-3-1-16(2-4-17)28-10-7-14-5-8-21-9-6-14/h1-6,8-9,11,18-19,22,25H,7,10,12-13H2
InChIKeyDRPSUHJCSADDHW-UHFFFAOYSA-N
XLogP1.19
TPSA127.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-N-[[4-(2-pyridin-4-ylethoxy)phenyl]sulfonylamino]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-5-carboxamide?
The IUPAC name of N-hydroxy-N-[[4-(2-pyridin-4-ylethoxy)phenyl]sulfonylamino]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-5-carboxamide (CID 90918824) is N-hydroxy-N-[[4-(2-pyridin-4-ylethoxy)phenyl]sulfonylamino]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-5-carboxamide.
What is the SMILES notation for N-hydroxy-N-[[4-(2-pyridin-4-ylethoxy)phenyl]sulfonylamino]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-5-carboxamide?
The canonical SMILES for N-hydroxy-N-[[4-(2-pyridin-4-ylethoxy)phenyl]sulfonylamino]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-5-carboxamide is O=C(C1=CC2OCOC2C1)N(O)NS(=O)(=O)c1ccc(OCCc2ccncc2)cc1.
What is the InChIKey of N-hydroxy-N-[[4-(2-pyridin-4-ylethoxy)phenyl]sulfonylamino]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-5-carboxamide?
The InChIKey is DRPSUHJCSADDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O7S/c24-20(15-11-18-19(12-15)30-13-29-18)23(25)22-31(26,27)17-3-1-16(2-4-17)28-10-7-14-5-8-21-9-6-14/h1-6,8-9,11,18-19,22,25H,7,10,12-13H2.
What are the key properties of N-hydroxy-N-[[4-(2-pyridin-4-ylethoxy)phenyl]sulfonylamino]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-5-carboxamide?
N-hydroxy-N-[[4-(2-pyridin-4-ylethoxy)phenyl]sulfonylamino]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-5-carboxamide has a molecular weight of 447.47 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[[4-(2-pyridin-4-ylethoxy)phenyl]sulfonylamino]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-5-carboxamide is sourced from PubChem (CID 90918824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).