(2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylpentanoate

C14H19N2O5S- — CID 7448572

IUPAC(2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylpentanoate
SMILESCC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)[O-]
InChIInChI=1S/C14H20N2O5S/c1-4-9(2)13(14(18)19)16-22(20,21)12-7-5-11(6-8-12)15-10(3)17/h5-9,13,16H,4H2,1-3H3,(H,15,17)(H,18,19)/p-1/t9-,13-/m1/s1
InChIKeyTZRUSBRYPGPVPQ-NOZJJQNGSA-M
MW327.38 g/mol
LogP0.09
Rot. Bonds7

About (2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylpentanoate

(2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylpentanoate (PubChem CID 7448572) has the molecular formula C14H19N2O5S- and a molecular weight of 327.38 g/mol. Its IUPAC name is (2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylpentanoate.

Molecular Properties

Compound Name(2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylpentanoate
PubChem CID7448572
Molecular FormulaC14H19N2O5S-
Molecular Weight327.38 g/mol
Exact Mass327.10
IUPAC Name(2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylpentanoate
SMILESCC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)[O-]
InChIInChI=1S/C14H20N2O5S/c1-4-9(2)13(14(18)19)16-22(20,21)12-7-5-11(6-8-12)15-10(3)17/h5-9,13,16H,4H2,1-3H3,(H,15,17)(H,18,19)/p-1/t9-,13-/m1/s1
InChIKeyTZRUSBRYPGPVPQ-NOZJJQNGSA-M
XLogP0.09
TPSA115.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylbutanoate
CID 7314858
(2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxybutanoate
CID 2325636
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
(2R,3R)-2-[(4-fluorophenyl)sulfonylamino]-3-methylpentanoate
CID 6935683
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylbutanoic acid
CID 773550
(2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenylphenyl)pentanamide
CID 126005006
N-[4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 39086802
(2S,3R)-2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 2569295
2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 4780829
2-[(4-acetylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 43081296
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
N-[4-[1-(4-methylphenyl)propylsulfamoyl]phenyl]acetamide
CID 22201131

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylpentanoate?
The IUPAC name of (2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylpentanoate (CID 7448572) is (2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylpentanoate.
What is the SMILES notation for (2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylpentanoate?
The canonical SMILES for (2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylpentanoate is CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)[O-].
What is the InChIKey of (2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylpentanoate?
The InChIKey is TZRUSBRYPGPVPQ-NOZJJQNGSA-M. The full InChI is InChI=1S/C14H20N2O5S/c1-4-9(2)13(14(18)19)16-22(20,21)12-7-5-11(6-8-12)15-10(3)17/h5-9,13,16H,4H2,1-3H3,(H,15,17)(H,18,19)/p-1/t9-,13-/m1/s1.
What are the key properties of (2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylpentanoate?
(2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylpentanoate has a molecular weight of 327.38 g/mol, XLogP of 0.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylpentanoate is sourced from PubChem (CID 7448572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).