N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C24H22N4O2S — CID 38749258

IUPACN-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1sc2ncn(CC(=O)Nc3ccccc3N3CCc4ccccc43)c(=O)c2c1C
InChIInChI=1S/C24H22N4O2S/c1-15-16(2)31-23-22(15)24(30)27(14-25-23)13-21(29)26-18-8-4-6-10-20(18)28-12-11-17-7-3-5-9-19(17)28/h3-10,14H,11-13H2,1-2H3,(H,26,29)
InChIKeyZADFOOALGOEKND-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.41
Rot. Bonds4

About N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 38749258) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID38749258
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1sc2ncn(CC(=O)Nc3ccccc3N3CCc4ccccc43)c(=O)c2c1C
InChIInChI=1S/C24H22N4O2S/c1-15-16(2)31-23-22(15)24(30)27(14-25-23)13-21(29)26-18-8-4-6-10-20(18)28-12-11-17-7-3-5-9-19(17)28/h3-10,14H,11-13H2,1-2H3,(H,26,29)
InChIKeyZADFOOALGOEKND-UHFFFAOYSA-N
XLogP4.41
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 1078247
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
CID 7939691
2-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide
CID 5072123
3-[2-(2-bromoanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 23410081
N-(2,6-diethylphenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 1078246
N-[(E)-benzylideneamino]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 6871033
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-phenyldiazenylphenyl)acetamide
CID 7629831
3-[2-(2-fluoroanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 23409206
N-(2-bromophenyl)-2-[6-methyl-5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 40913815
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-naphthalen-1-ylpropanamide
CID 16618781
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 6926063
3-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 6488740

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 38749258) is N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is Cc1sc2ncn(CC(=O)Nc3ccccc3N3CCc4ccccc43)c(=O)c2c1C.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is ZADFOOALGOEKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c1-15-16(2)31-23-22(15)24(30)27(14-25-23)13-21(29)26-18-8-4-6-10-20(18)28-12-11-17-7-3-5-9-19(17)28/h3-10,14H,11-13H2,1-2H3,(H,26,29).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 430.53 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 38749258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).