[(2S,3S)-3-[[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentyl]amino]oxolan-2-yl] acetate

C19H30N2O5S — CID 67698448

IUPAC[(2S,3S)-3-[[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentyl]amino]oxolan-2-yl] acetate
SMILESCC(=O)O[C@@H]1OCC[C@@H]1NC[C@@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H30N2O5S/c1-13(2)11-16(12-20-18-9-10-25-19(18)26-15(4)22)21-27(23,24)17-7-5-14(3)6-8-17/h5-8,13,16,18-21H,9-12H2,1-4H3/t16-,18+,19+/m1/s1
InChIKeyVOAPPULALJICTJ-NEWSRXKRSA-N
MW398.53 g/mol
LogP1.96
Rot. Bonds9

About [(2S,3S)-3-[[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentyl]amino]oxolan-2-yl] acetate

[(2S,3S)-3-[[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentyl]amino]oxolan-2-yl] acetate (PubChem CID 67698448) has the molecular formula C19H30N2O5S and a molecular weight of 398.53 g/mol. Its IUPAC name is [(2S,3S)-3-[[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentyl]amino]oxolan-2-yl] acetate.

Molecular Properties

Compound Name[(2S,3S)-3-[[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentyl]amino]oxolan-2-yl] acetate
PubChem CID67698448
Molecular FormulaC19H30N2O5S
Molecular Weight398.53 g/mol
Exact Mass398.19
IUPAC Name[(2S,3S)-3-[[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentyl]amino]oxolan-2-yl] acetate
SMILESCC(=O)O[C@@H]1OCC[C@@H]1NC[C@@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H30N2O5S/c1-13(2)11-16(12-20-18-9-10-25-19(18)26-15(4)22)21-27(23,24)17-7-5-14(3)6-8-17/h5-8,13,16,18-21H,9-12H2,1-4H3/t16-,18+,19+/m1/s1
InChIKeyVOAPPULALJICTJ-NEWSRXKRSA-N
XLogP1.96
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2S,3S)-3-[[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentyl]amino]oxolan-2-yl] acetate with MolForge

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Related Compounds

[(2S,3S)-3-[[(2R)-2-(benzenesulfonamido)-4-methylpentyl]amino]oxolan-2-yl] acetate
CID 67575452
[(2S,3S)-3-[[(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentyl]amino]oxolan-2-yl] acetate
CID 67576063
[(2S,3S)-3-[[(2R)-4-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]pentyl]amino]oxolan-2-yl] acetate
CID 67576299
[(2S,3S)-3-[[(2R)-4-methyl-2-[(4-methylphenyl)methoxycarbonylamino]pentyl]amino]oxolan-2-yl] acetate
CID 67698910
N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 67575461
N-(2,6-dimethylhept-1-en-4-yl)-4-methylbenzenesulfonamide
CID 57149498
4-methyl-N-[(4S)-2-methyl-8-oxodec-6-yn-4-yl]benzenesulfonamide
CID 11566206
(2R)-2-[[carboxy-[(4-methylphenyl)sulfonylamino]methyl]amino]-4-methylpentanoic acid
CID 53389398
4-methyl-N-[(2S)-3-methyl-1-[[(1S,2S)-2-[[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butyl]amino]cyclohexyl]amino]butan-2-yl]benzenesulfonamide
CID 11650072
N-[(2S)-1-(1,3-dithian-2-yl)-4-methylpentan-2-yl]-4-methylbenzenesulfonamide
CID 10714413
4-methyl-N-[(2R)-4-methyl-1-[16-[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-1-oxopentan-2-yl]benzenesulfonamide
CID 124600524
4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide
CID 73054079

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-[[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentyl]amino]oxolan-2-yl] acetate?
The IUPAC name of [(2S,3S)-3-[[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentyl]amino]oxolan-2-yl] acetate (CID 67698448) is [(2S,3S)-3-[[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentyl]amino]oxolan-2-yl] acetate.
What is the SMILES notation for [(2S,3S)-3-[[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentyl]amino]oxolan-2-yl] acetate?
The canonical SMILES for [(2S,3S)-3-[[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentyl]amino]oxolan-2-yl] acetate is CC(=O)O[C@@H]1OCC[C@@H]1NC[C@@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of [(2S,3S)-3-[[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentyl]amino]oxolan-2-yl] acetate?
The InChIKey is VOAPPULALJICTJ-NEWSRXKRSA-N. The full InChI is InChI=1S/C19H30N2O5S/c1-13(2)11-16(12-20-18-9-10-25-19(18)26-15(4)22)21-27(23,24)17-7-5-14(3)6-8-17/h5-8,13,16,18-21H,9-12H2,1-4H3/t16-,18+,19+/m1/s1.
What are the key properties of [(2S,3S)-3-[[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentyl]amino]oxolan-2-yl] acetate?
[(2S,3S)-3-[[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentyl]amino]oxolan-2-yl] acetate has a molecular weight of 398.53 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-[[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentyl]amino]oxolan-2-yl] acetate is sourced from PubChem (CID 67698448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).