N-(3-methylphenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide

C15H21NO5S — CID 75417596

IUPACN-(3-methylphenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
SMILESCc1cccc(S(=O)(=O)NC(=O)C(C)OCC2CCCO2)c1
InChIInChI=1S/C15H21NO5S/c1-11-5-3-7-14(9-11)22(18,19)16-15(17)12(2)21-10-13-6-4-8-20-13/h3,5,7,9,12-13H,4,6,8,10H2,1-2H3,(H,16,17)
InChIKeyYXABARFBHJWLQX-UHFFFAOYSA-N
MW327.40 g/mol
LogP1.38
Rot. Bonds6

About N-(3-methylphenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide

N-(3-methylphenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide (PubChem CID 75417596) has the molecular formula C15H21NO5S and a molecular weight of 327.40 g/mol. Its IUPAC name is N-(3-methylphenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
PubChem CID75417596
Molecular FormulaC15H21NO5S
Molecular Weight327.40 g/mol
Exact Mass327.11
IUPAC NameN-(3-methylphenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
SMILESCc1cccc(S(=O)(=O)NC(=O)C(C)OCC2CCCO2)c1
InChIInChI=1S/C15H21NO5S/c1-11-5-3-7-14(9-11)22(18,19)16-15(17)12(2)21-10-13-6-4-8-20-13/h3,5,7,9,12-13H,4,6,8,10H2,1-2H3,(H,16,17)
InChIKeyYXABARFBHJWLQX-UHFFFAOYSA-N
XLogP1.38
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(3-methylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269998
(2R)-N-(3-chlorophenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269990
N-(3-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
CID 71884570
(2R)-N-(3-cyanophenyl)sulfonyl-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 95270061
(2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 95272601
(2R)-N-naphthalen-2-ylsulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269930
(2R)-N-(2,5-dimethylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269973
N-(3-cyanophenyl)sulfonyl-2-(oxan-2-ylmethoxy)propanamide
CID 71882542
N-(4-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
CID 71884607
N-[3-(tert-butylsulfamoyl)phenyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 48849651
(2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-thiophen-2-ylsulfonylpropanamide
CID 95272613
(2R)-N-[(5-chloro-2-pyridinyl)sulfonyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 99807154

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide?
The IUPAC name of N-(3-methylphenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide (CID 75417596) is N-(3-methylphenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide.
What is the SMILES notation for N-(3-methylphenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide?
The canonical SMILES for N-(3-methylphenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide is Cc1cccc(S(=O)(=O)NC(=O)C(C)OCC2CCCO2)c1.
What is the InChIKey of N-(3-methylphenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide?
The InChIKey is YXABARFBHJWLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5S/c1-11-5-3-7-14(9-11)22(18,19)16-15(17)12(2)21-10-13-6-4-8-20-13/h3,5,7,9,12-13H,4,6,8,10H2,1-2H3,(H,16,17).
What are the key properties of N-(3-methylphenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide?
N-(3-methylphenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide has a molecular weight of 327.40 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide is sourced from PubChem (CID 75417596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).