4-amino-N-[[(5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide

C21H27N3O4S — CID 166175285

IUPAC4-amino-N-[[(5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(C[C@@H]1OC(=O)NC1Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C21H27N3O4S/c1-15(2)13-24(29(26,27)18-10-8-17(22)9-11-18)14-20-19(23-21(25)28-20)12-16-6-4-3-5-7-16/h3-11,15,19-20H,12-14,22H2,1-2H3,(H,23,25)/t19?,20-/m0/s1
InChIKeySEKATQYMRVJJEN-ANYOKISRSA-N
MW417.53 g/mol
LogP2.64
Rot. Bonds8

About 4-amino-N-[[(5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide

4-amino-N-[[(5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 166175285) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 4-amino-N-[[(5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[[(5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide
PubChem CID166175285
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name4-amino-N-[[(5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(C[C@@H]1OC(=O)NC1Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C21H27N3O4S/c1-15(2)13-24(29(26,27)18-10-8-17(22)9-11-18)14-20-19(23-21(25)28-20)12-16-6-4-3-5-7-16/h3-11,15,19-20H,12-14,22H2,1-2H3,(H,23,25)/t19?,20-/m0/s1
InChIKeySEKATQYMRVJJEN-ANYOKISRSA-N
XLogP2.64
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[(5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-[[(5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide (CID 166175285) is 4-amino-N-[[(5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[[(5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-[[(5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide is CC(C)CN(C[C@@H]1OC(=O)NC1Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[[(5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is SEKATQYMRVJJEN-ANYOKISRSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-15(2)13-24(29(26,27)18-10-8-17(22)9-11-18)14-20-19(23-21(25)28-20)12-16-6-4-3-5-7-16/h3-11,15,19-20H,12-14,22H2,1-2H3,(H,23,25)/t19?,20-/m0/s1.
What are the key properties of 4-amino-N-[[(5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide?
4-amino-N-[[(5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 417.53 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[(5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 166175285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).