(2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-[[(2S)-2-hydroxypropanoyl]amino]pyrrolidine-2-carboxamide

C18H27N3O7S — CID 10502708

IUPAC(2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-[[(2S)-2-hydroxypropanoyl]amino]pyrrolidine-2-carboxamide
SMILESCCCCOc1ccc(S(=O)(=O)N2C[C@@H](NC(=O)[C@H](C)O)C[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C18H27N3O7S/c1-3-4-9-28-14-5-7-15(8-6-14)29(26,27)21-11-13(19-17(23)12(2)22)10-16(21)18(24)20-25/h5-8,12-13,16,22,25H,3-4,9-11H2,1-2H3,(H,19,23)(H,20,24)/t12-,13-,16+/m0/s1
InChIKeySBIQGLZKCCTUIC-HEHGZKQESA-N
MW429.50 g/mol
LogP-0.00
Rot. Bonds9

About (2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-[[(2S)-2-hydroxypropanoyl]amino]pyrrolidine-2-carboxamide

(2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-[[(2S)-2-hydroxypropanoyl]amino]pyrrolidine-2-carboxamide (PubChem CID 10502708) has the molecular formula C18H27N3O7S and a molecular weight of 429.50 g/mol. Its IUPAC name is (2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-[[(2S)-2-hydroxypropanoyl]amino]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-[[(2S)-2-hydroxypropanoyl]amino]pyrrolidine-2-carboxamide
PubChem CID10502708
Molecular FormulaC18H27N3O7S
Molecular Weight429.50 g/mol
Exact Mass429.16
IUPAC Name(2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-[[(2S)-2-hydroxypropanoyl]amino]pyrrolidine-2-carboxamide
SMILESCCCCOc1ccc(S(=O)(=O)N2C[C@@H](NC(=O)[C@H](C)O)C[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C18H27N3O7S/c1-3-4-9-28-14-5-7-15(8-6-14)29(26,27)21-11-13(19-17(23)12(2)22)10-16(21)18(24)20-25/h5-8,12-13,16,22,25H,3-4,9-11H2,1-2H3,(H,19,23)(H,20,24)/t12-,13-,16+/m0/s1
InChIKeySBIQGLZKCCTUIC-HEHGZKQESA-N
XLogP-0.00
TPSA145.27 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 5-0.00
H-Bond Donors ≤ 54
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 (2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-[[(2S)-2-hydroxypropanoyl]amino]pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-[[(2S)-2-hydroxypropanoyl]amino]pyrrolidine-2-carboxamide (CID 10502708) is (2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-[[(2S)-2-hydroxypropanoyl]amino]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-[[(2S)-2-hydroxypropanoyl]amino]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-[[(2S)-2-hydroxypropanoyl]amino]pyrrolidine-2-carboxamide is CCCCOc1ccc(S(=O)(=O)N2C[C@@H](NC(=O)[C@H](C)O)C[C@@H]2C(=O)NO)cc1.
What is the InChIKey of (2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-[[(2S)-2-hydroxypropanoyl]amino]pyrrolidine-2-carboxamide?
The InChIKey is SBIQGLZKCCTUIC-HEHGZKQESA-N. The full InChI is InChI=1S/C18H27N3O7S/c1-3-4-9-28-14-5-7-15(8-6-14)29(26,27)21-11-13(19-17(23)12(2)22)10-16(21)18(24)20-25/h5-8,12-13,16,22,25H,3-4,9-11H2,1-2H3,(H,19,23)(H,20,24)/t12-,13-,16+/m0/s1.
What are the key properties of (2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-[[(2S)-2-hydroxypropanoyl]amino]pyrrolidine-2-carboxamide?
(2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-[[(2S)-2-hydroxypropanoyl]amino]pyrrolidine-2-carboxamide has a molecular weight of 429.50 g/mol, XLogP of -0.00, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-[[(2S)-2-hydroxypropanoyl]amino]pyrrolidine-2-carboxamide is sourced from PubChem (CID 10502708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).