(2R,4S)-N-hydroxy-1-(4-phenoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide

C21H25N3O5S — CID 10765140

IUPAC(2R,4S)-N-hydroxy-1-(4-phenoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide
SMILESO=C(NO)[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H25N3O5S/c25-21(22-26)20-14-16(23-12-4-5-13-23)15-24(20)30(27,28)19-10-8-18(9-11-19)29-17-6-2-1-3-7-17/h1-3,6-11,16,20,26H,4-5,12-15H2,(H,22,25)/t16-,20+/m0/s1
InChIKeyITNSNSYBFZWVPE-OXJNMPFZSA-N
MW431.51 g/mol
LogP2.21
Rot. Bonds6

About (2R,4S)-N-hydroxy-1-(4-phenoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide

(2R,4S)-N-hydroxy-1-(4-phenoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide (PubChem CID 10765140) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is (2R,4S)-N-hydroxy-1-(4-phenoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-hydroxy-1-(4-phenoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide
PubChem CID10765140
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC Name(2R,4S)-N-hydroxy-1-(4-phenoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide
SMILESO=C(NO)[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H25N3O5S/c25-21(22-26)20-14-16(23-12-4-5-13-23)15-24(20)30(27,28)19-10-8-18(9-11-19)29-17-6-2-1-3-7-17/h1-3,6-11,16,20,26H,4-5,12-15H2,(H,22,25)/t16-,20+/m0/s1
InChIKeyITNSNSYBFZWVPE-OXJNMPFZSA-N
XLogP2.21
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 (2R,4S)-N-hydroxy-1-(4-phenoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-N-hydroxy-1-(4-phenoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide (CID 10765140) is (2R,4S)-N-hydroxy-1-(4-phenoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-N-hydroxy-1-(4-phenoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-N-hydroxy-1-(4-phenoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide is O=C(NO)[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (2R,4S)-N-hydroxy-1-(4-phenoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide?
The InChIKey is ITNSNSYBFZWVPE-OXJNMPFZSA-N. The full InChI is InChI=1S/C21H25N3O5S/c25-21(22-26)20-14-16(23-12-4-5-13-23)15-24(20)30(27,28)19-10-8-18(9-11-19)29-17-6-2-1-3-7-17/h1-3,6-11,16,20,26H,4-5,12-15H2,(H,22,25)/t16-,20+/m0/s1.
What are the key properties of (2R,4S)-N-hydroxy-1-(4-phenoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide?
(2R,4S)-N-hydroxy-1-(4-phenoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide has a molecular weight of 431.51 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-hydroxy-1-(4-phenoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 10765140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).