(2S)-N-[(2S,3S)-2-acetyloxolan-3-yl]-2-[(4-tert-butylphenyl)sulfonylamino]-4-methylpentanamide

C22H34N2O5S — CID 67698886

IUPAC(2S)-N-[(2S,3S)-2-acetyloxolan-3-yl]-2-[(4-tert-butylphenyl)sulfonylamino]-4-methylpentanamide
SMILESCC(=O)[C@H]1OCC[C@@H]1NC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H34N2O5S/c1-14(2)13-19(21(26)23-18-11-12-29-20(18)15(3)25)24-30(27,28)17-9-7-16(8-10-17)22(4,5)6/h7-10,14,18-20,24H,11-13H2,1-6H3,(H,23,26)/t18-,19-,20+/m0/s1
InChIKeyCKABZQXMIORGKK-SLFFLAALSA-N
MW438.59 g/mol
LogP2.54
Rot. Bonds8

About (2S)-N-[(2S,3S)-2-acetyloxolan-3-yl]-2-[(4-tert-butylphenyl)sulfonylamino]-4-methylpentanamide

(2S)-N-[(2S,3S)-2-acetyloxolan-3-yl]-2-[(4-tert-butylphenyl)sulfonylamino]-4-methylpentanamide (PubChem CID 67698886) has the molecular formula C22H34N2O5S and a molecular weight of 438.59 g/mol. Its IUPAC name is (2S)-N-[(2S,3S)-2-acetyloxolan-3-yl]-2-[(4-tert-butylphenyl)sulfonylamino]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-N-[(2S,3S)-2-acetyloxolan-3-yl]-2-[(4-tert-butylphenyl)sulfonylamino]-4-methylpentanamide
PubChem CID67698886
Molecular FormulaC22H34N2O5S
Molecular Weight438.59 g/mol
Exact Mass438.22
IUPAC Name(2S)-N-[(2S,3S)-2-acetyloxolan-3-yl]-2-[(4-tert-butylphenyl)sulfonylamino]-4-methylpentanamide
SMILESCC(=O)[C@H]1OCC[C@@H]1NC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H34N2O5S/c1-14(2)13-19(21(26)23-18-11-12-29-20(18)15(3)25)24-30(27,28)17-9-7-16(8-10-17)22(4,5)6/h7-10,14,18-20,24H,11-13H2,1-6H3,(H,23,26)/t18-,19-,20+/m0/s1
InChIKeyCKABZQXMIORGKK-SLFFLAALSA-N
XLogP2.54
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.59
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[(2S,3S)-2-acetyloxolan-3-yl]-2-[(4-tert-butylphenyl)sulfonylamino]-4-methylpentanamide with MolForge

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Launch Full Analysis

Related Compounds

2-[(4-tert-butylphenyl)sulfonylamino]-N-[(3S)-2-hydroxyoxolan-3-yl]-4-methylpentanamide
CID 67698595
(2S)-2-(benzenesulfonamido)-N-[(3S)-2-hydroxyoxan-3-yl]-4-methylpentanamide
CID 139726517
4-tert-butyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide
CID 110351459
N-(2-hydroxyoxolan-3-yl)-4-methyl-2-[(3-nitrophenyl)sulfonylamino]pentanamide
CID 22444842
2-[(4-tert-butylphenyl)sulfonylamino]-N-cyclohexyl-3-hydroxypropanamide
CID 5122714
2-(benzenesulfonamido)-4-methyl-N-(2-oxooxolan-3-yl)pentanamide
CID 22444783
(2R)-N-(1-ethylpiperidin-4-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 30768113
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 1190229
(2S)-N-[(3aS,4R,6aR)-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-methyl-2-(methylamino)pentanamide
CID 66591036
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]butanoic acid
CID 42255460
N-[1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 67698271
N-[4-[[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]sulfamoyl]phenyl]acetamide
CID 110285631

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S,3S)-2-acetyloxolan-3-yl]-2-[(4-tert-butylphenyl)sulfonylamino]-4-methylpentanamide?
The IUPAC name of (2S)-N-[(2S,3S)-2-acetyloxolan-3-yl]-2-[(4-tert-butylphenyl)sulfonylamino]-4-methylpentanamide (CID 67698886) is (2S)-N-[(2S,3S)-2-acetyloxolan-3-yl]-2-[(4-tert-butylphenyl)sulfonylamino]-4-methylpentanamide.
What is the SMILES notation for (2S)-N-[(2S,3S)-2-acetyloxolan-3-yl]-2-[(4-tert-butylphenyl)sulfonylamino]-4-methylpentanamide?
The canonical SMILES for (2S)-N-[(2S,3S)-2-acetyloxolan-3-yl]-2-[(4-tert-butylphenyl)sulfonylamino]-4-methylpentanamide is CC(=O)[C@H]1OCC[C@@H]1NC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (2S)-N-[(2S,3S)-2-acetyloxolan-3-yl]-2-[(4-tert-butylphenyl)sulfonylamino]-4-methylpentanamide?
The InChIKey is CKABZQXMIORGKK-SLFFLAALSA-N. The full InChI is InChI=1S/C22H34N2O5S/c1-14(2)13-19(21(26)23-18-11-12-29-20(18)15(3)25)24-30(27,28)17-9-7-16(8-10-17)22(4,5)6/h7-10,14,18-20,24H,11-13H2,1-6H3,(H,23,26)/t18-,19-,20+/m0/s1.
What are the key properties of (2S)-N-[(2S,3S)-2-acetyloxolan-3-yl]-2-[(4-tert-butylphenyl)sulfonylamino]-4-methylpentanamide?
(2S)-N-[(2S,3S)-2-acetyloxolan-3-yl]-2-[(4-tert-butylphenyl)sulfonylamino]-4-methylpentanamide has a molecular weight of 438.59 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S,3S)-2-acetyloxolan-3-yl]-2-[(4-tert-butylphenyl)sulfonylamino]-4-methylpentanamide is sourced from PubChem (CID 67698886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).