N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide

C18H17N3O4S — CID 17486924

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
SMILESCN(Cc1ccc2c(c1)OCCO2)C(=O)Cn1cnc2ccsc2c1=O
InChIInChI=1S/C18H17N3O4S/c1-20(9-12-2-3-14-15(8-12)25-6-5-24-14)16(22)10-21-11-19-13-4-7-26-17(13)18(21)23/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyNTBOFGRJUDPVFB-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.89
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide (PubChem CID 17486924) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
PubChem CID17486924
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
SMILESCN(Cc1ccc2c(c1)OCCO2)C(=O)Cn1cnc2ccsc2c1=O
InChIInChI=1S/C18H17N3O4S/c1-20(9-12-2-3-14-15(8-12)25-6-5-24-14)16(22)10-21-11-19-13-4-7-26-17(13)18(21)23/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyNTBOFGRJUDPVFB-UHFFFAOYSA-N
XLogP1.89
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 30510117
3-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidin-4-one
CID 51280170
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 35701227
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 17414825
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 30805636
3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-oxopropanoic acid
CID 62232596
3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 60700955
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 17485513
3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 30090006
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(4-methylphenyl)acetamide
CID 78811641
methyl 2-[methyl-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]amino]benzoate
CID 42089654
N-[(4-methoxyphenyl)methyl]-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 33279598

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide (CID 17486924) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide is CN(Cc1ccc2c(c1)OCCO2)C(=O)Cn1cnc2ccsc2c1=O.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide?
The InChIKey is NTBOFGRJUDPVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-20(9-12-2-3-14-15(8-12)25-6-5-24-14)16(22)10-21-11-19-13-4-7-26-17(13)18(21)23/h2-4,7-8,11H,5-6,9-10H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide has a molecular weight of 371.42 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 17486924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).