(2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(2-phenylethylamino)pyrrolidine-2-carboxamide

C20H25N3O5S — CID 10502172

IUPAC(2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(2-phenylethylamino)pyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2C[C@@H](NCCc3ccccc3)C[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C20H25N3O5S/c1-28-17-7-9-18(10-8-17)29(26,27)23-14-16(13-19(23)20(24)22-25)21-12-11-15-5-3-2-4-6-15/h2-10,16,19,21,25H,11-14H2,1H3,(H,22,24)/t16-,19+/m0/s1
InChIKeyKUEURUPTKRCKAQ-QFBILLFUSA-N
MW419.50 g/mol
LogP1.16
Rot. Bonds8

About (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(2-phenylethylamino)pyrrolidine-2-carboxamide

(2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(2-phenylethylamino)pyrrolidine-2-carboxamide (PubChem CID 10502172) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(2-phenylethylamino)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(2-phenylethylamino)pyrrolidine-2-carboxamide
PubChem CID10502172
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name(2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(2-phenylethylamino)pyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2C[C@@H](NCCc3ccccc3)C[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C20H25N3O5S/c1-28-17-7-9-18(10-8-17)29(26,27)23-14-16(13-19(23)20(24)22-25)21-12-11-15-5-3-2-4-6-15/h2-10,16,19,21,25H,11-14H2,1H3,(H,22,24)/t16-,19+/m0/s1
InChIKeyKUEURUPTKRCKAQ-QFBILLFUSA-N
XLogP1.16
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 51.16
H-Bond Donors ≤ 53
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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Related Compounds

(1n)-4-N-Butoxyphenylsulfonyl-(2r)-N-Hydroxycarboxamido-(4s)-Methanesulfonylamino-Pyrrolidine
CID 5287415
Carbamic acid, [(1S)-1-[[[(1S,2R)-3-[(cyclopentyloxy)[(4-methoxyphenyl)sulfonyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]amino]carbonyl]-2,2-dimethylpropyl]-, methyl ester
CID 5279201
(R)-2-(N-Benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-3-methylbutanamide
CID 9821883
(2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-2-phenylacetamide
CID 10502537
MMP-3 Inhibitor VIII
CID 10549329
2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-4-(morpholin-4-yl)butanamide
CID 10552056
N-hydroxy-2-[(4-methoxybenzene)(2-phenylethyl)sulfonamido]acetamide
CID 10570770
N-hydroxy-2-[[4-methoxybenzenesulfonyl](benzyl)amino]acetamide
CID 10594000
(2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxypropanamide
CID 10594938
2-[(cyclohexylmethyl)(4-methoxybenzene)sulfonamido]-N-hydroxyacetamide
CID 10618255
2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-3,3-dimethylbutanamide
CID 10621353
(2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-4,4-dimethylpentanamide
CID 10645799

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(2-phenylethylamino)pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(2-phenylethylamino)pyrrolidine-2-carboxamide (CID 10502172) is (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(2-phenylethylamino)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(2-phenylethylamino)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(2-phenylethylamino)pyrrolidine-2-carboxamide is COc1ccc(S(=O)(=O)N2C[C@@H](NCCc3ccccc3)C[C@@H]2C(=O)NO)cc1.
What is the InChIKey of (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(2-phenylethylamino)pyrrolidine-2-carboxamide?
The InChIKey is KUEURUPTKRCKAQ-QFBILLFUSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-28-17-7-9-18(10-8-17)29(26,27)23-14-16(13-19(23)20(24)22-25)21-12-11-15-5-3-2-4-6-15/h2-10,16,19,21,25H,11-14H2,1H3,(H,22,24)/t16-,19+/m0/s1.
What are the key properties of (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(2-phenylethylamino)pyrrolidine-2-carboxamide?
(2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(2-phenylethylamino)pyrrolidine-2-carboxamide has a molecular weight of 419.50 g/mol, XLogP of 1.16, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(2-phenylethylamino)pyrrolidine-2-carboxamide is sourced from PubChem (CID 10502172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).