(2R)-2-[[4-(acetamidomethyl)phenyl]methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide

C20H24FN3O5S — CID 122196501

IUPAC(2R)-2-[[4-(acetamidomethyl)phenyl]methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide
SMILESCC(=O)NCc1ccc(CN([C@H](C)C(=O)NO)S(=O)(=O)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C20H24FN3O5S/c1-13-10-18(8-9-19(13)21)30(28,29)24(14(2)20(26)23-27)12-17-6-4-16(5-7-17)11-22-15(3)25/h4-10,14,27H,11-12H2,1-3H3,(H,22,25)(H,23,26)/t14-/m1/s1
InChIKeyGYWYTQPIZBRUSZ-CQSZACIVSA-N
MW437.49 g/mol
LogP1.86
Rot. Bonds8

About (2R)-2-[[4-(acetamidomethyl)phenyl]methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide

(2R)-2-[[4-(acetamidomethyl)phenyl]methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide (PubChem CID 122196501) has the molecular formula C20H24FN3O5S and a molecular weight of 437.49 g/mol. Its IUPAC name is (2R)-2-[[4-(acetamidomethyl)phenyl]methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide.

Molecular Properties

Compound Name(2R)-2-[[4-(acetamidomethyl)phenyl]methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide
PubChem CID122196501
Molecular FormulaC20H24FN3O5S
Molecular Weight437.49 g/mol
Exact Mass437.14
IUPAC Name(2R)-2-[[4-(acetamidomethyl)phenyl]methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide
SMILESCC(=O)NCc1ccc(CN([C@H](C)C(=O)NO)S(=O)(=O)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C20H24FN3O5S/c1-13-10-18(8-9-19(13)21)30(28,29)24(14(2)20(26)23-27)12-17-6-4-16(5-7-17)11-22-15(3)25/h4-10,14,27H,11-12H2,1-3H3,(H,22,25)(H,23,26)/t14-/m1/s1
InChIKeyGYWYTQPIZBRUSZ-CQSZACIVSA-N
XLogP1.86
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

[4-[[(4-fluoro-3-methylphenyl)sulfonyl-[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]amino]methyl]phenyl]methylazanium
CID 117072122
(2R)-2-[3-aminopropyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide
CID 122196499
(2R)-2-[6-aminohexyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide;hydrochloride
CID 122196492
(2S)-N-hydroxy-2-[(4-nitrophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 101015317
(2S)-N-hydroxy-2-[(4-nitrophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide
CID 101015307
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide
CID 10594938
(2S)-N-hydroxy-3-methyl-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]butanamide
CID 100984443
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-hydroxypropanamide
CID 23645796
1-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 167918686
1-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea;hydrochloride
CID 167918685
(3-bromo-4-fluorophenyl)sulfonyl-propan-2-ylcarbamic acid
CID 155343233
tert-butyl N-[4-[benzyl-[(2S)-1-(hydroxyamino)-1-oxopropan-2-yl]sulfamoyl]phenyl]carbamate
CID 101074327

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(acetamidomethyl)phenyl]methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide?
The IUPAC name of (2R)-2-[[4-(acetamidomethyl)phenyl]methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide (CID 122196501) is (2R)-2-[[4-(acetamidomethyl)phenyl]methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide.
What is the SMILES notation for (2R)-2-[[4-(acetamidomethyl)phenyl]methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide?
The canonical SMILES for (2R)-2-[[4-(acetamidomethyl)phenyl]methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide is CC(=O)NCc1ccc(CN([C@H](C)C(=O)NO)S(=O)(=O)c2ccc(F)c(C)c2)cc1.
What is the InChIKey of (2R)-2-[[4-(acetamidomethyl)phenyl]methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide?
The InChIKey is GYWYTQPIZBRUSZ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24FN3O5S/c1-13-10-18(8-9-19(13)21)30(28,29)24(14(2)20(26)23-27)12-17-6-4-16(5-7-17)11-22-15(3)25/h4-10,14,27H,11-12H2,1-3H3,(H,22,25)(H,23,26)/t14-/m1/s1.
What are the key properties of (2R)-2-[[4-(acetamidomethyl)phenyl]methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide?
(2R)-2-[[4-(acetamidomethyl)phenyl]methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide has a molecular weight of 437.49 g/mol, XLogP of 1.86, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(acetamidomethyl)phenyl]methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide is sourced from PubChem (CID 122196501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).