(2R)-N-(2,5-dimethylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide

C16H23NO5S — CID 95269973

IUPAC(2R)-N-(2,5-dimethylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
SMILESCc1ccc(C)c(S(=O)(=O)NC(=O)[C@@H](C)OC[C@@H]2CCCO2)c1
InChIInChI=1S/C16H23NO5S/c1-11-6-7-12(2)15(9-11)23(19,20)17-16(18)13(3)22-10-14-5-4-8-21-14/h6-7,9,13-14H,4-5,8,10H2,1-3H3,(H,17,18)/t13-,14+/m1/s1
InChIKeyKKKNGEAYFAXKGE-KGLIPLIRSA-N
MW341.43 g/mol
LogP1.69
Rot. Bonds6

About (2R)-N-(2,5-dimethylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide

(2R)-N-(2,5-dimethylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide (PubChem CID 95269973) has the molecular formula C16H23NO5S and a molecular weight of 341.43 g/mol. Its IUPAC name is (2R)-N-(2,5-dimethylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-(2,5-dimethylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
PubChem CID95269973
Molecular FormulaC16H23NO5S
Molecular Weight341.43 g/mol
Exact Mass341.13
IUPAC Name(2R)-N-(2,5-dimethylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
SMILESCc1ccc(C)c(S(=O)(=O)NC(=O)[C@@H](C)OC[C@@H]2CCCO2)c1
InChIInChI=1S/C16H23NO5S/c1-11-6-7-12(2)15(9-11)23(19,20)17-16(18)13(3)22-10-14-5-4-8-21-14/h6-7,9,13-14H,4-5,8,10H2,1-3H3,(H,17,18)/t13-,14+/m1/s1
InChIKeyKKKNGEAYFAXKGE-KGLIPLIRSA-N
XLogP1.69
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(2,5-dimethylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(3-methylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269998
N-(3-methylphenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
CID 75417596
N-(4-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
CID 71884607
(2R)-N-(3-chlorophenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269990
(2R)-N-naphthalen-2-ylsulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269930
N-(3-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
CID 71884570
(2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 95272601
(2R)-N-(3-cyanophenyl)sulfonyl-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 95270061
(2R)-N-[(5-chloro-2-pyridinyl)sulfonyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 99807154
(2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-thiophen-2-ylsulfonylpropanamide
CID 95272613
(2R)-N-(5-bromothiophen-2-yl)sulfonyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 97209318
N-(3-cyanophenyl)sulfonyl-2-(oxan-2-ylmethoxy)propanamide
CID 71882542

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-dimethylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide?
The IUPAC name of (2R)-N-(2,5-dimethylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide (CID 95269973) is (2R)-N-(2,5-dimethylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide.
What is the SMILES notation for (2R)-N-(2,5-dimethylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide?
The canonical SMILES for (2R)-N-(2,5-dimethylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide is Cc1ccc(C)c(S(=O)(=O)NC(=O)[C@@H](C)OC[C@@H]2CCCO2)c1.
What is the InChIKey of (2R)-N-(2,5-dimethylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide?
The InChIKey is KKKNGEAYFAXKGE-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H23NO5S/c1-11-6-7-12(2)15(9-11)23(19,20)17-16(18)13(3)22-10-14-5-4-8-21-14/h6-7,9,13-14H,4-5,8,10H2,1-3H3,(H,17,18)/t13-,14+/m1/s1.
What are the key properties of (2R)-N-(2,5-dimethylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide?
(2R)-N-(2,5-dimethylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide has a molecular weight of 341.43 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,5-dimethylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide is sourced from PubChem (CID 95269973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).