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

C22H27N3O7S — CID 10695971

IUPAC(2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[[(2S)-2-phenylmethoxypropanoyl]amino]pyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2C[C@@H](NC(=O)[C@H](C)OCc3ccccc3)C[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C22H27N3O7S/c1-15(32-14-16-6-4-3-5-7-16)21(26)23-17-12-20(22(27)24-28)25(13-17)33(29,30)19-10-8-18(31-2)9-11-19/h3-11,15,17,20,28H,12-14H2,1-2H3,(H,23,26)(H,24,27)/t15-,17-,20+/m0/s1
InChIKeyDQXUWRWXYMJLHB-RIFZZMRRSA-N
MW477.54 g/mol
LogP1.05
Rot. Bonds9

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

(2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[[(2S)-2-phenylmethoxypropanoyl]amino]pyrrolidine-2-carboxamide (PubChem CID 10695971) has the molecular formula C22H27N3O7S and a molecular weight of 477.54 g/mol. Its IUPAC name is (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[[(2S)-2-phenylmethoxypropanoyl]amino]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[[(2S)-2-phenylmethoxypropanoyl]amino]pyrrolidine-2-carboxamide
PubChem CID10695971
Molecular FormulaC22H27N3O7S
Molecular Weight477.54 g/mol
Exact Mass477.16
IUPAC Name(2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[[(2S)-2-phenylmethoxypropanoyl]amino]pyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2C[C@@H](NC(=O)[C@H](C)OCc3ccccc3)C[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C22H27N3O7S/c1-15(32-14-16-6-4-3-5-7-16)21(26)23-17-12-20(22(27)24-28)25(13-17)33(29,30)19-10-8-18(31-2)9-11-19/h3-11,15,17,20,28H,12-14H2,1-2H3,(H,23,26)(H,24,27)/t15-,17-,20+/m0/s1
InChIKeyDQXUWRWXYMJLHB-RIFZZMRRSA-N
XLogP1.05
TPSA134.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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
2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-4-(morpholin-4-yl)butanamide
CID 10552056
N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-[2-methoxyethyl-[(3S)-oxolan-3-yl]amino]acetamide
CID 134815547
Benzenesulfonamide, N-[(2S)-3-[(2R,5S)-2-(2-aminoethyl)-3-oxo-5-(phenylmethyl)-4-morpholinyl]-2-hydroxypropyl]-N-(cyclopentylmethyl)-4-methoxy-
CID 16074387
N~2~-Acetyl-N-[(2s,3r)-3-Hydroxy-4-{[(4-Methoxyphenyl)sulfonyl](2-Methylpropyl)amino}-1-Phenylbutan-2-Yl]-L-Isoleucinamide
CID 56973521
(2S)-N-hydroxy-3-[(4-phenylmethoxyphenyl)sulfonylamino]-2-pyrrolidin-1-ylpropanamide
CID 49854307
4-Morpholin-4-yl-1-(4-propoxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid hydroxyamide
CID 10047373
1-(4-Butoxy-benzenesulfonyl)-4-morpholin-4-yl-pyrrolidine-2-carboxylic acid hydroxyamide
CID 10320328
1-(4-Methoxy-benzenesulfonyl)-4-phenethylamino-pyrrolidine-2-carboxylic acid hydroxyamide
CID 10502172
1-(4-Butoxy-benzenesulfonyl)-4-(2-hydroxy-propionylamino)-pyrrolidine-2-carboxylic acid hydroxyamide
CID 10502708
4-Morpholin-4-yl-1-(4-phenoxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid hydroxyamide
CID 10599533
(2R,4S)-N-hydroxy-4-[[(2S)-2-hydroxy-4-phenylbutanoyl]-propylamino]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 10625771

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[[(2S)-2-phenylmethoxypropanoyl]amino]pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[[(2S)-2-phenylmethoxypropanoyl]amino]pyrrolidine-2-carboxamide (CID 10695971) is (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[[(2S)-2-phenylmethoxypropanoyl]amino]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[[(2S)-2-phenylmethoxypropanoyl]amino]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[[(2S)-2-phenylmethoxypropanoyl]amino]pyrrolidine-2-carboxamide is COc1ccc(S(=O)(=O)N2C[C@@H](NC(=O)[C@H](C)OCc3ccccc3)C[C@@H]2C(=O)NO)cc1.
What is the InChIKey of (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[[(2S)-2-phenylmethoxypropanoyl]amino]pyrrolidine-2-carboxamide?
The InChIKey is DQXUWRWXYMJLHB-RIFZZMRRSA-N. The full InChI is InChI=1S/C22H27N3O7S/c1-15(32-14-16-6-4-3-5-7-16)21(26)23-17-12-20(22(27)24-28)25(13-17)33(29,30)19-10-8-18(31-2)9-11-19/h3-11,15,17,20,28H,12-14H2,1-2H3,(H,23,26)(H,24,27)/t15-,17-,20+/m0/s1.
What are the key properties of (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[[(2S)-2-phenylmethoxypropanoyl]amino]pyrrolidine-2-carboxamide?
(2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[[(2S)-2-phenylmethoxypropanoyl]amino]pyrrolidine-2-carboxamide has a molecular weight of 477.54 g/mol, XLogP of 1.05, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[[(2S)-2-phenylmethoxypropanoyl]amino]pyrrolidine-2-carboxamide is sourced from PubChem (CID 10695971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).