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

C19H17NO3S2 — CID 39708928

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cc1cccs1)N(Cc1cccs1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H17NO3S2/c21-19(12-15-3-1-9-24-15)20(13-16-4-2-10-25-16)14-5-6-17-18(11-14)23-8-7-22-17/h1-6,9-11H,7-8,12-13H2
InChIKeyQFBPBNDABPMJOG-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.36
Rot. Bonds5

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 39708928) has the molecular formula C19H17NO3S2 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID39708928
Molecular FormulaC19H17NO3S2
Molecular Weight371.48 g/mol
Exact Mass371.06
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cc1cccs1)N(Cc1cccs1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H17NO3S2/c21-19(12-15-3-1-9-24-15)20(13-16-4-2-10-25-16)14-5-6-17-18(11-14)23-8-7-22-17/h1-6,9-11H,7-8,12-13H2
InChIKeyQFBPBNDABPMJOG-UHFFFAOYSA-N
XLogP4.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)acetamide
CID 8009424
2-benzylsulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 27995034
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 17430300
(3S)-3-acetamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 29492949
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(9-oxoacridin-10-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 30019003
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 75429808
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 51656563
2-(3-chloroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 25498931
2-(4-cyanophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 9268063
[2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-(1,3-benzodioxol-5-yl)propanoate
CID 34315307
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)quinoxaline-2-carboxamide
CID 9119832
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 30781467

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide (CID 39708928) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide is O=C(Cc1cccs1)N(Cc1cccs1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is QFBPBNDABPMJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S2/c21-19(12-15-3-1-9-24-15)20(13-16-4-2-10-25-16)14-5-6-17-18(11-14)23-8-7-22-17/h1-6,9-11H,7-8,12-13H2.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 371.48 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 39708928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).