(2R)-N-hydroxy-4-methylidene-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide

C15H20N2O5S — CID 10593253

IUPAC(2R)-N-hydroxy-4-methylidene-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESC=C1C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(OCCC)cc2)C1
InChIInChI=1S/C15H20N2O5S/c1-3-8-22-12-4-6-13(7-5-12)23(20,21)17-10-11(2)9-14(17)15(18)16-19/h4-7,14,19H,2-3,8-10H2,1H3,(H,16,18)/t14-/m1/s1
InChIKeyMKKSGKUWQUXKAQ-CQSZACIVSA-N
MW340.40 g/mol
LogP1.30
Rot. Bonds6

About (2R)-N-hydroxy-4-methylidene-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide

(2R)-N-hydroxy-4-methylidene-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 10593253) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is (2R)-N-hydroxy-4-methylidene-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-4-methylidene-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID10593253
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name(2R)-N-hydroxy-4-methylidene-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESC=C1C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(OCCC)cc2)C1
InChIInChI=1S/C15H20N2O5S/c1-3-8-22-12-4-6-13(7-5-12)23(20,21)17-10-11(2)9-14(17)15(18)16-19/h4-7,14,19H,2-3,8-10H2,1H3,(H,16,18)/t14-/m1/s1
InChIKeyMKKSGKUWQUXKAQ-CQSZACIVSA-N
XLogP1.30
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-isobutyl-N-(4-methoxyphenylsulfonyl)glycyl hydroxamic acid
CID 448002
(1n)-4-N-Butoxyphenylsulfonyl-(2r)-N-Hydroxycarboxamido-(4s)-Methanesulfonylamino-Pyrrolidine
CID 5287415
(3S)-4-{[4-(But-2-ynyloxy)phenyl]sulfonyl}-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide
CID 5288615
2-{[4-(but-2-yn-1-yloxy)benzene](methyl)sulfonamido}-N-hydroxyacetamide
CID 9948666
MMP-3 Inhibitor VIII
CID 10549329
N-hydroxy-2-[(2-methylpropyl)[4-(propan-2-yloxy)benzene]sulfonamido]acetamide
CID 10569469
Hydroxamate 27
CID 10591505
N-hydroxy-2-[(4-methoxybenzene)(3-methylbutyl)sulfonamido]acetamide
CID 10640178
N-hydroxy-2-{[4-(3-methylbutoxy)benzene](2-methylpropyl)sulfonamido}acetamide
CID 10667012
N-hydroxy-2-[[4-hexyloxybenzenesulfonyl](isobutyl)amino]acetamide
CID 10738924
2-[(4-butoxybenzene)(2-methylpropyl)sulfonamido]-N-hydroxyacetamide
CID 10784639
(2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-4-methylpentanamide
CID 10787514

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-4-methylidene-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-hydroxy-4-methylidene-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide (CID 10593253) is (2R)-N-hydroxy-4-methylidene-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-hydroxy-4-methylidene-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-hydroxy-4-methylidene-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide is C=C1C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(OCCC)cc2)C1.
What is the InChIKey of (2R)-N-hydroxy-4-methylidene-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is MKKSGKUWQUXKAQ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-3-8-22-12-4-6-13(7-5-12)23(20,21)17-10-11(2)9-14(17)15(18)16-19/h4-7,14,19H,2-3,8-10H2,1H3,(H,16,18)/t14-/m1/s1.
What are the key properties of (2R)-N-hydroxy-4-methylidene-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
(2R)-N-hydroxy-4-methylidene-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-4-methylidene-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 10593253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).