2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide

C20H23NO4S2 — CID 55389090

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSc1ccc2c(c1)OCCO2)N(Cc1cccs1)CC1CCCO1
InChIInChI=1S/C20H23NO4S2/c22-20(14-27-16-5-6-18-19(11-16)25-9-8-24-18)21(12-15-3-1-7-23-15)13-17-4-2-10-26-17/h2,4-6,10-11,15H,1,3,7-9,12-14H2
InChIKeySLJBNCUBIWMQLP-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.82
Rot. Bonds7

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 55389090) has the molecular formula C20H23NO4S2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID55389090
Molecular FormulaC20H23NO4S2
Molecular Weight405.54 g/mol
Exact Mass405.11
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSc1ccc2c(c1)OCCO2)N(Cc1cccs1)CC1CCCO1
InChIInChI=1S/C20H23NO4S2/c22-20(14-27-16-5-6-18-19(11-16)25-9-8-24-18)21(12-15-3-1-7-23-15)13-17-4-2-10-26-17/h2,4-6,10-11,15H,1,3,7-9,12-14H2
InChIKeySLJBNCUBIWMQLP-UHFFFAOYSA-N
XLogP3.82
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide with MolForge

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 95287975
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 60717923
1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
3-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 54869247
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chloroacetyl)-(oxolan-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4107830
4-(difluoromethylsulfanyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 55520684
N-(oxolan-2-ylmethyl)-2-(propylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 60687494
3-(1,3-dioxoisoindol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)propanamide
CID 9194353
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55389254
N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 4060393
N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-chloro-N-(oxolan-2-ylmethyl)benzamide
CID 4278800
3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 78810035

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide (CID 55389090) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide is O=C(CSc1ccc2c(c1)OCCO2)N(Cc1cccs1)CC1CCCO1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is SLJBNCUBIWMQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4S2/c22-20(14-27-16-5-6-18-19(11-16)25-9-8-24-18)21(12-15-3-1-7-23-15)13-17-4-2-10-26-17/h2,4-6,10-11,15H,1,3,7-9,12-14H2.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 405.54 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 55389090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).