2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C17H15Cl2NO3S — CID 2198037

IUPAC2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(CSCc1c(Cl)cccc1Cl)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H15Cl2NO3S/c18-13-2-1-3-14(19)12(13)9-24-10-17(21)20-11-4-5-15-16(8-11)23-7-6-22-15/h1-5,8H,6-7,9-10H2,(H,20,21)
InChIKeyJMDGCHJYJQRSLT-UHFFFAOYSA-N
MW384.28 g/mol
LogP4.64
Rot. Bonds5

About 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 2198037) has the molecular formula C17H15Cl2NO3S and a molecular weight of 384.28 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID2198037
Molecular FormulaC17H15Cl2NO3S
Molecular Weight384.28 g/mol
Exact Mass383.01
IUPAC Name2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(CSCc1c(Cl)cccc1Cl)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H15Cl2NO3S/c18-13-2-1-3-14(19)12(13)9-24-10-17(21)20-11-4-5-15-16(8-11)23-7-6-22-15/h1-5,8H,6-7,9-10H2,(H,20,21)
InChIKeyJMDGCHJYJQRSLT-UHFFFAOYSA-N
XLogP4.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 732530
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylsulfanylacetamide
CID 2121892
N-(1,3-benzodioxol-5-yl)-2-[(2,6-dichlorobenzyl)sulfanyl]acetamide
CID 1292943
3-(4-chlorophenyl)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acrylamide
CID 1322679
(E)-3-(3,4-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 1663479
2-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 732522
2-[(4-chlorobenzyl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 805322
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 892697
2-(benzylthio)-N-(3,4-dimethoxyphenyl)propanamide
CID 2890203
3-[(2-chlorobenzyl)sulfanyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 2747120
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-methylphenyl)sulfanyl]acetamide
CID 3904727
3-(Benzylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-YL)propanamide
CID 6498106

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 2198037) is 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is JMDGCHJYJQRSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO3S/c18-13-2-1-3-14(19)12(13)9-24-10-17(21)20-11-4-5-15-16(8-11)23-7-6-22-15/h1-5,8H,6-7,9-10H2,(H,20,21).
What are the key properties of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 384.28 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 2198037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).