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

C18H27N3O5S — CID 10692194

IUPAC(2R,4S)-N-hydroxy-1-(4-propoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide
SMILESCCCOc1ccc(S(=O)(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C18H27N3O5S/c1-2-11-26-15-5-7-16(8-6-15)27(24,25)21-13-14(20-9-3-4-10-20)12-17(21)18(22)19-23/h5-8,14,17,23H,2-4,9-13H2,1H3,(H,19,22)/t14-,17+/m0/s1
InChIKeySESDSMKBCYCQSU-WMLDXEAASA-N
MW397.50 g/mol
LogP1.21
Rot. Bonds7

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

(2R,4S)-N-hydroxy-1-(4-propoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide (PubChem CID 10692194) has the molecular formula C18H27N3O5S and a molecular weight of 397.50 g/mol. Its IUPAC name is (2R,4S)-N-hydroxy-1-(4-propoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-hydroxy-1-(4-propoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide
PubChem CID10692194
Molecular FormulaC18H27N3O5S
Molecular Weight397.50 g/mol
Exact Mass397.17
IUPAC Name(2R,4S)-N-hydroxy-1-(4-propoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide
SMILESCCCOc1ccc(S(=O)(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C18H27N3O5S/c1-2-11-26-15-5-7-16(8-6-15)27(24,25)21-13-14(20-9-3-4-10-20)12-17(21)18(22)19-23/h5-8,14,17,23H,2-4,9-13H2,1H3,(H,19,22)/t14-,17+/m0/s1
InChIKeySESDSMKBCYCQSU-WMLDXEAASA-N
XLogP1.21
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 51.21
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-propoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-N-hydroxy-1-(4-propoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide (CID 10692194) is (2R,4S)-N-hydroxy-1-(4-propoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-N-hydroxy-1-(4-propoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-N-hydroxy-1-(4-propoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide is CCCOc1ccc(S(=O)(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C(=O)NO)cc1.
What is the InChIKey of (2R,4S)-N-hydroxy-1-(4-propoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide?
The InChIKey is SESDSMKBCYCQSU-WMLDXEAASA-N. The full InChI is InChI=1S/C18H27N3O5S/c1-2-11-26-15-5-7-16(8-6-15)27(24,25)21-13-14(20-9-3-4-10-20)12-17(21)18(22)19-23/h5-8,14,17,23H,2-4,9-13H2,1H3,(H,19,22)/t14-,17+/m0/s1.
What are the key properties of (2R,4S)-N-hydroxy-1-(4-propoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide?
(2R,4S)-N-hydroxy-1-(4-propoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 1.21, 7 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-propoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 10692194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).