N-(2,3-dihydro-1H-inden-1-yl)-2-[3-(2,3-dimethylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide

C25H23N3O3S — CID 50926619

IUPACN-(2,3-dihydro-1H-inden-1-yl)-2-[3-(2,3-dimethylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
SMILESCc1cccc(-n2c(=O)c3sccc3n(CC(=O)NC3CCc4ccccc43)c2=O)c1C
InChIInChI=1S/C25H23N3O3S/c1-15-6-5-9-20(16(15)2)28-24(30)23-21(12-13-32-23)27(25(28)31)14-22(29)26-19-11-10-17-7-3-4-8-18(17)19/h3-9,12-13,19H,10-11,14H2,1-2H3,(H,26,29)
InChIKeySOEADVIUYXGLGV-UHFFFAOYSA-N
MW445.54 g/mol
LogP3.63
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-1-yl)-2-[3-(2,3-dimethylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide

N-(2,3-dihydro-1H-inden-1-yl)-2-[3-(2,3-dimethylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide (PubChem CID 50926619) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-2-[3-(2,3-dimethylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-2-[3-(2,3-dimethylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
PubChem CID50926619
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-2-[3-(2,3-dimethylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
SMILESCc1cccc(-n2c(=O)c3sccc3n(CC(=O)NC3CCc4ccccc43)c2=O)c1C
InChIInChI=1S/C25H23N3O3S/c1-15-6-5-9-20(16(15)2)28-24(30)23-21(12-13-32-23)27(25(28)31)14-22(29)26-19-11-10-17-7-3-4-8-18(17)19/h3-9,12-13,19H,10-11,14H2,1-2H3,(H,26,29)
InChIKeySOEADVIUYXGLGV-UHFFFAOYSA-N
XLogP3.63
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-(2,3-dimethylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 95181824
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-[(2-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 95181558
N-[(2-chlorophenyl)methyl]-2-[3-(2,3-dimethylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 50926510
2-[3-(2,3-dimethylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 50926610
N-(4-butylphenyl)-2-[3-(2,3-dimethylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 50926605
N-cyclopentyl-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide
CID 6619388
N-(2,3-dihydro-1H-inden-1-yl)-2-[3-(2,5-dimethylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide
CID 50926387
2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 95183078
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 24587471
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7802621
N-(2,6-dimethylphenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 22428083
N-(2,3-dihydro-1H-inden-1-yl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide
CID 17449302

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-[3-(2,3-dimethylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-[3-(2,3-dimethylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide (CID 50926619) is N-(2,3-dihydro-1H-inden-1-yl)-2-[3-(2,3-dimethylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-2-[3-(2,3-dimethylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-2-[3-(2,3-dimethylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide is Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)NC3CCc4ccccc43)c2=O)c1C.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-2-[3-(2,3-dimethylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide?
The InChIKey is SOEADVIUYXGLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-15-6-5-9-20(16(15)2)28-24(30)23-21(12-13-32-23)27(25(28)31)14-22(29)26-19-11-10-17-7-3-4-8-18(17)19/h3-9,12-13,19H,10-11,14H2,1-2H3,(H,26,29).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-2-[3-(2,3-dimethylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide?
N-(2,3-dihydro-1H-inden-1-yl)-2-[3-(2,3-dimethylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide has a molecular weight of 445.54 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-2-[3-(2,3-dimethylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 50926619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).