(2R)-2-[(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide

C15H22N2O5S — CID 7453365

IUPAC(2R)-2-[(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC[C@H]2CCCO2)cc1
InChIInChI=1S/C15H22N2O5S/c1-11(15(18)16-10-13-4-3-9-22-13)17-23(19,20)14-7-5-12(21-2)6-8-14/h5-8,11,13,17H,3-4,9-10H2,1-2H3,(H,16,18)/t11-,13-/m1/s1
InChIKeyGTPUYWGLFBQNPA-DGCLKSJQSA-N
MW342.42 g/mol
LogP0.66
Rot. Bonds7

About (2R)-2-[(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide

(2R)-2-[(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide (PubChem CID 7453365) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is (2R)-2-[(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
PubChem CID7453365
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name(2R)-2-[(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC[C@H]2CCCO2)cc1
InChIInChI=1S/C15H22N2O5S/c1-11(15(18)16-10-13-4-3-9-22-13)17-23(19,20)14-7-5-12(21-2)6-8-14/h5-8,11,13,17H,3-4,9-10H2,1-2H3,(H,16,18)/t11-,13-/m1/s1
InChIKeyGTPUYWGLFBQNPA-DGCLKSJQSA-N
XLogP0.66
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7477015
(2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 925185
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1088506
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1088507
2-cyclopentyl-2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 110407933
N'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 2037808
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)propanamide
CID 133213494
2-(3-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 19203851
N-butyl-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3558322
(2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide
CID 28541625
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 25418906
2-[(4-methoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 5026363

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of (2R)-2-[(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide (CID 7453365) is (2R)-2-[(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for (2R)-2-[(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for (2R)-2-[(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide is COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC[C@H]2CCCO2)cc1.
What is the InChIKey of (2R)-2-[(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The InChIKey is GTPUYWGLFBQNPA-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-11(15(18)16-10-13-4-3-9-22-13)17-23(19,20)14-7-5-12(21-2)6-8-14/h5-8,11,13,17H,3-4,9-10H2,1-2H3,(H,16,18)/t11-,13-/m1/s1.
What are the key properties of (2R)-2-[(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
(2R)-2-[(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide has a molecular weight of 342.42 g/mol, XLogP of 0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 7453365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).