N-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonylbenzamide

C15H21NO4S — CID 27260765

IUPACN-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C15H21NO4S/c1-2-10-21(18,19)14-8-4-3-7-13(14)15(17)16-11-12-6-5-9-20-12/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyBJJHATNTUMFYEU-GFCCVEGCSA-N
MW311.40 g/mol
LogP1.78
Rot. Bonds6

About N-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonylbenzamide

N-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonylbenzamide (PubChem CID 27260765) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonylbenzamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonylbenzamide
PubChem CID27260765
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C15H21NO4S/c1-2-10-21(18,19)14-8-4-3-7-13(14)15(17)16-11-12-6-5-9-20-12/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyBJJHATNTUMFYEU-GFCCVEGCSA-N
XLogP1.78
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513205
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
2-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 2955389
2-(4-nitrophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1310311
2-(4-nitrophenyl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1310310
2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2228852
methyl 2-[2-(oxolan-2-yl)ethylsulfonyl]benzoate
CID 167992070
2-[(2-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17491650
2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide
CID 2981527
N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 686682
N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2-propylfuran-3-carboxamide
CID 27244468
2-[(3-chloro-2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 55902296

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonylbenzamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonylbenzamide (CID 27260765) is N-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonylbenzamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonylbenzamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonylbenzamide is CCCS(=O)(=O)c1ccccc1C(=O)NC[C@H]1CCCO1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonylbenzamide?
The InChIKey is BJJHATNTUMFYEU-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-2-10-21(18,19)14-8-4-3-7-13(14)15(17)16-11-12-6-5-9-20-12/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,16,17)/t12-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonylbenzamide?
N-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonylbenzamide has a molecular weight of 311.40 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonylbenzamide is sourced from PubChem (CID 27260765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).