N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylsulfinyl)acetamide

C18H19NO4S — CID 71878711

IUPACN-benzyl-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylsulfinyl)acetamide
SMILESO=C(CS(=O)Cc1cccc2c1OCCO2)NCc1ccccc1
InChIInChI=1S/C18H19NO4S/c20-17(19-11-14-5-2-1-3-6-14)13-24(21)12-15-7-4-8-16-18(15)23-10-9-22-16/h1-8H,9-13H2,(H,19,20)
InChIKeyZAHOABWOXDCKOO-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.02
Rot. Bonds6

About N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylsulfinyl)acetamide

N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylsulfinyl)acetamide (PubChem CID 71878711) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylsulfinyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylsulfinyl)acetamide
PubChem CID71878711
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC NameN-benzyl-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylsulfinyl)acetamide
SMILESO=C(CS(=O)Cc1cccc2c1OCCO2)NCc1ccccc1
InChIInChI=1S/C18H19NO4S/c20-17(19-11-14-5-2-1-3-6-14)13-24(21)12-15-7-4-8-16-18(15)23-10-9-22-16/h1-8H,9-13H2,(H,19,20)
InChIKeyZAHOABWOXDCKOO-UHFFFAOYSA-N
XLogP2.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-5-yl)pentanamide
CID 54570517
N-benzyl-2-[(4-fluorophenyl)methylsulfinyl]acetamide
CID 123100558
N-benzyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide
CID 95326812
2-(1,3-benzodioxol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 110851438
N-benzyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide
CID 96548273
1-[[3-(difluoromethyl)phenyl]methyl]-3-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)urea
CID 167876209
2-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)propanedioic acid
CID 22418952
2-(naphthalen-1-ylmethylsulfinyl)-N-propylacetamide
CID 47024696
3-[(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)methyl]benzoic acid
CID 120509959
N-benzyl-2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]acetamide
CID 8966941
4-[(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)methyl]phenol
CID 115603263
2-[1-[[2-(benzylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid
CID 65444342

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylsulfinyl)acetamide?
The IUPAC name of N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylsulfinyl)acetamide (CID 71878711) is N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylsulfinyl)acetamide.
What is the SMILES notation for N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylsulfinyl)acetamide?
The canonical SMILES for N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylsulfinyl)acetamide is O=C(CS(=O)Cc1cccc2c1OCCO2)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylsulfinyl)acetamide?
The InChIKey is ZAHOABWOXDCKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c20-17(19-11-14-5-2-1-3-6-14)13-24(21)12-15-7-4-8-16-18(15)23-10-9-22-16/h1-8H,9-13H2,(H,19,20).
What are the key properties of N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylsulfinyl)acetamide?
N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylsulfinyl)acetamide has a molecular weight of 345.42 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylsulfinyl)acetamide is sourced from PubChem (CID 71878711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).