(2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-(4-methylsulfanyl-2,5-dioxoimidazolidin-1-yl)pyrrolidine-2-carboxamide

C19H26N4O7S2 — CID 10552952

IUPAC(2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-(4-methylsulfanyl-2,5-dioxoimidazolidin-1-yl)pyrrolidine-2-carboxamide
SMILESCCCCOc1ccc(S(=O)(=O)N2C[C@@H](N3C(=O)NC(SC)C3=O)C[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C19H26N4O7S2/c1-3-4-9-30-13-5-7-14(8-6-13)32(28,29)22-11-12(10-15(22)16(24)21-27)23-18(25)17(31-2)20-19(23)26/h5-8,12,15,17,27H,3-4,9-11H2,1-2H3,(H,20,26)(H,21,24)/t12-,15+,17?/m0/s1
InChIKeyNACPMNMCCDZXLH-AJAMINHISA-N
MW486.57 g/mol
LogP0.74
Rot. Bonds9

About (2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-(4-methylsulfanyl-2,5-dioxoimidazolidin-1-yl)pyrrolidine-2-carboxamide

(2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-(4-methylsulfanyl-2,5-dioxoimidazolidin-1-yl)pyrrolidine-2-carboxamide (PubChem CID 10552952) has the molecular formula C19H26N4O7S2 and a molecular weight of 486.57 g/mol. Its IUPAC name is (2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-(4-methylsulfanyl-2,5-dioxoimidazolidin-1-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-(4-methylsulfanyl-2,5-dioxoimidazolidin-1-yl)pyrrolidine-2-carboxamide
PubChem CID10552952
Molecular FormulaC19H26N4O7S2
Molecular Weight486.57 g/mol
Exact Mass486.12
IUPAC Name(2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-(4-methylsulfanyl-2,5-dioxoimidazolidin-1-yl)pyrrolidine-2-carboxamide
SMILESCCCCOc1ccc(S(=O)(=O)N2C[C@@H](N3C(=O)NC(SC)C3=O)C[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C19H26N4O7S2/c1-3-4-9-30-13-5-7-14(8-6-13)32(28,29)22-11-12(10-15(22)16(24)21-27)23-18(25)17(31-2)20-19(23)26/h5-8,12,15,17,27H,3-4,9-11H2,1-2H3,(H,20,26)(H,21,24)/t12-,15+,17?/m0/s1
InChIKeyNACPMNMCCDZXLH-AJAMINHISA-N
XLogP0.74
TPSA145.35 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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 (2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-(4-methylsulfanyl-2,5-dioxoimidazolidin-1-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-(4-methylsulfanyl-2,5-dioxoimidazolidin-1-yl)pyrrolidine-2-carboxamide (CID 10552952) is (2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-(4-methylsulfanyl-2,5-dioxoimidazolidin-1-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-(4-methylsulfanyl-2,5-dioxoimidazolidin-1-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-(4-methylsulfanyl-2,5-dioxoimidazolidin-1-yl)pyrrolidine-2-carboxamide is CCCCOc1ccc(S(=O)(=O)N2C[C@@H](N3C(=O)NC(SC)C3=O)C[C@@H]2C(=O)NO)cc1.
What is the InChIKey of (2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-(4-methylsulfanyl-2,5-dioxoimidazolidin-1-yl)pyrrolidine-2-carboxamide?
The InChIKey is NACPMNMCCDZXLH-AJAMINHISA-N. The full InChI is InChI=1S/C19H26N4O7S2/c1-3-4-9-30-13-5-7-14(8-6-13)32(28,29)22-11-12(10-15(22)16(24)21-27)23-18(25)17(31-2)20-19(23)26/h5-8,12,15,17,27H,3-4,9-11H2,1-2H3,(H,20,26)(H,21,24)/t12-,15+,17?/m0/s1.
What are the key properties of (2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-(4-methylsulfanyl-2,5-dioxoimidazolidin-1-yl)pyrrolidine-2-carboxamide?
(2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-(4-methylsulfanyl-2,5-dioxoimidazolidin-1-yl)pyrrolidine-2-carboxamide has a molecular weight of 486.57 g/mol, XLogP of 0.74, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-(4-methylsulfanyl-2,5-dioxoimidazolidin-1-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 10552952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).