N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-2-methylsulfanylbenzamide

C18H19NO4S — CID 124892264

IUPACN-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NC[C@H](O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H19NO4S/c1-24-17-5-3-2-4-13(17)18(21)19-11-14(20)12-6-7-15-16(10-12)23-9-8-22-15/h2-7,10,14,20H,8-9,11H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyORYVCGGBFWUJEE-AWEZNQCLSA-N
MW345.42 g/mol
LogP2.64
Rot. Bonds5

About N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-2-methylsulfanylbenzamide

N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-2-methylsulfanylbenzamide (PubChem CID 124892264) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-2-methylsulfanylbenzamide
PubChem CID124892264
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC NameN-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NC[C@H](O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H19NO4S/c1-24-17-5-3-2-4-13(17)18(21)19-11-14(20)12-6-7-15-16(10-12)23-9-8-22-15/h2-7,10,14,20H,8-9,11H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyORYVCGGBFWUJEE-AWEZNQCLSA-N
XLogP2.64
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]benzamide
CID 119099537
N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 94297321
N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 94317247
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-1,3-benzothiazole-2-carboxamide
CID 119099543
N-[(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 97042451
2-(2-chlorophenyl)-N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]acetamide
CID 124892016
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-methylsulfanylbenzamide
CID 112806079
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylsulfanylbenzamide
CID 42125647
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]amino]-N-methylacetamide
CID 60901783
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 71803428
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-methylsulfanylbenzamide
CID 71781885
N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 124760210

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-2-methylsulfanylbenzamide (CID 124892264) is N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NC[C@H](O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-2-methylsulfanylbenzamide?
The InChIKey is ORYVCGGBFWUJEE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-24-17-5-3-2-4-13(17)18(21)19-11-14(20)12-6-7-15-16(10-12)23-9-8-22-15/h2-7,10,14,20H,8-9,11H2,1H3,(H,19,21)/t14-/m0/s1.
What are the key properties of N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-2-methylsulfanylbenzamide?
N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-2-methylsulfanylbenzamide has a molecular weight of 345.42 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 124892264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).