(2R,4Z)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-(2-methylpropoxyimino)pyrrolidine-2-carboxamide

C19H29N3O6S — CID 10526509

IUPAC(2R,4Z)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-(2-methylpropoxyimino)pyrrolidine-2-carboxamide
SMILESCCCCOc1ccc(S(=O)(=O)N2C/C(=N\OCC(C)C)C[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C19H29N3O6S/c1-4-5-10-27-16-6-8-17(9-7-16)29(25,26)22-12-15(21-28-13-14(2)3)11-18(22)19(23)20-24/h6-9,14,18,24H,4-5,10-13H2,1-3H3,(H,20,23)/b21-15-/t18-/m1/s1
InChIKeyGWZMHEYDUOAMNJ-AFDUHFSSSA-N
MW427.52 g/mol
LogP2.16
Rot. Bonds10

About (2R,4Z)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-(2-methylpropoxyimino)pyrrolidine-2-carboxamide

(2R,4Z)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-(2-methylpropoxyimino)pyrrolidine-2-carboxamide (PubChem CID 10526509) has the molecular formula C19H29N3O6S and a molecular weight of 427.52 g/mol. Its IUPAC name is (2R,4Z)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-(2-methylpropoxyimino)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4Z)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-(2-methylpropoxyimino)pyrrolidine-2-carboxamide
PubChem CID10526509
Molecular FormulaC19H29N3O6S
Molecular Weight427.52 g/mol
Exact Mass427.18
IUPAC Name(2R,4Z)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-(2-methylpropoxyimino)pyrrolidine-2-carboxamide
SMILESCCCCOc1ccc(S(=O)(=O)N2C/C(=N\OCC(C)C)C[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C19H29N3O6S/c1-4-5-10-27-16-6-8-17(9-7-16)29(25,26)22-12-15(21-28-13-14(2)3)11-18(22)19(23)20-24/h6-9,14,18,24H,4-5,10-13H2,1-3H3,(H,20,23)/b21-15-/t18-/m1/s1
InChIKeyGWZMHEYDUOAMNJ-AFDUHFSSSA-N
XLogP2.16
TPSA117.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 52.16
H-Bond Donors ≤ 52
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': 'imine_1', '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 (2R,4Z)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-(2-methylpropoxyimino)pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4Z)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-(2-methylpropoxyimino)pyrrolidine-2-carboxamide (CID 10526509) is (2R,4Z)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-(2-methylpropoxyimino)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4Z)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-(2-methylpropoxyimino)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4Z)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-(2-methylpropoxyimino)pyrrolidine-2-carboxamide is CCCCOc1ccc(S(=O)(=O)N2C/C(=N\OCC(C)C)C[C@@H]2C(=O)NO)cc1.
What is the InChIKey of (2R,4Z)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-(2-methylpropoxyimino)pyrrolidine-2-carboxamide?
The InChIKey is GWZMHEYDUOAMNJ-AFDUHFSSSA-N. The full InChI is InChI=1S/C19H29N3O6S/c1-4-5-10-27-16-6-8-17(9-7-16)29(25,26)22-12-15(21-28-13-14(2)3)11-18(22)19(23)20-24/h6-9,14,18,24H,4-5,10-13H2,1-3H3,(H,20,23)/b21-15-/t18-/m1/s1.
What are the key properties of (2R,4Z)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-(2-methylpropoxyimino)pyrrolidine-2-carboxamide?
(2R,4Z)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-(2-methylpropoxyimino)pyrrolidine-2-carboxamide has a molecular weight of 427.52 g/mol, XLogP of 2.16, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4Z)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-(2-methylpropoxyimino)pyrrolidine-2-carboxamide is sourced from PubChem (CID 10526509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).