N,N-dimethyl-2-[[1-[2-(4-methylsulfonylphenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]acetamide

C25H26N4O5S2 — CID 129308147

IUPACN,N-dimethyl-2-[[1-[2-(4-methylsulfonylphenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]acetamide
SMILESCN(C)C(=O)COc1ccc2c(c1)N(c1nc(-c3ccc(S(C)(=O)=O)cc3)nc3c1CS(=O)C3)CC2
InChIInChI=1S/C25H26N4O5S2/c1-28(2)23(30)13-34-18-7-4-16-10-11-29(22(16)12-18)25-20-14-35(31)15-21(20)26-24(27-25)17-5-8-19(9-6-17)36(3,32)33/h4-9,12H,10-11,13-15H2,1-3H3
InChIKeyDNLQRDZTMLHESX-UHFFFAOYSA-N
MW526.64 g/mol
LogP2.47
Rot. Bonds6

About N,N-dimethyl-2-[[1-[2-(4-methylsulfonylphenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]acetamide

N,N-dimethyl-2-[[1-[2-(4-methylsulfonylphenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]acetamide (PubChem CID 129308147) has the molecular formula C25H26N4O5S2 and a molecular weight of 526.64 g/mol. Its IUPAC name is N,N-dimethyl-2-[[1-[2-(4-methylsulfonylphenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[1-[2-(4-methylsulfonylphenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]acetamide
PubChem CID129308147
Molecular FormulaC25H26N4O5S2
Molecular Weight526.64 g/mol
Exact Mass526.13
IUPAC NameN,N-dimethyl-2-[[1-[2-(4-methylsulfonylphenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]acetamide
SMILESCN(C)C(=O)COc1ccc2c(c1)N(c1nc(-c3ccc(S(C)(=O)=O)cc3)nc3c1CS(=O)C3)CC2
InChIInChI=1S/C25H26N4O5S2/c1-28(2)23(30)13-34-18-7-4-16-10-11-29(22(16)12-18)25-20-14-35(31)15-21(20)26-24(27-25)17-5-8-19(9-6-17)36(3,32)33/h4-9,12H,10-11,13-15H2,1-3H3
InChIKeyDNLQRDZTMLHESX-UHFFFAOYSA-N
XLogP2.47
TPSA109.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.64
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N,N-dimethyl-2-[[1-[2-(4-methylsulfonylphenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]acetamide with MolForge

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Related Compounds

2-[[1-[2-(4-cyanophenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide
CID 129308150
2-[[1-[2-(3-fluoro-4-hydroxyphenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide
CID 137006896
2-[[1-[2-(1H-indol-5-yl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide
CID 129308124
2-[[1-[2-(5-fluorothiophen-2-yl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 118693458
2-[1-[2-(1-benzofuran-5-yl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-5-yl]acetic acid
CID 86305107
2-[[1-[2-(5-chlorothiophen-2-yl)-6,6-dihydroxy-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N-ethylacetamide
CID 118693409
2-[[1-[2-(5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N-(oxetan-3-yl)acetamide
CID 118693465
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide
CID 55403495
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 55873952
2-(3,4-dichlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone
CID 11337309
1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]ethanone
CID 55602983
2-[1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-yl]oxy-N,N-dimethylacetamide
CID 146046991

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[1-[2-(4-methylsulfonylphenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[[1-[2-(4-methylsulfonylphenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]acetamide (CID 129308147) is N,N-dimethyl-2-[[1-[2-(4-methylsulfonylphenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[1-[2-(4-methylsulfonylphenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[1-[2-(4-methylsulfonylphenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]acetamide is CN(C)C(=O)COc1ccc2c(c1)N(c1nc(-c3ccc(S(C)(=O)=O)cc3)nc3c1CS(=O)C3)CC2.
What is the InChIKey of N,N-dimethyl-2-[[1-[2-(4-methylsulfonylphenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]acetamide?
The InChIKey is DNLQRDZTMLHESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5S2/c1-28(2)23(30)13-34-18-7-4-16-10-11-29(22(16)12-18)25-20-14-35(31)15-21(20)26-24(27-25)17-5-8-19(9-6-17)36(3,32)33/h4-9,12H,10-11,13-15H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[[1-[2-(4-methylsulfonylphenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]acetamide?
N,N-dimethyl-2-[[1-[2-(4-methylsulfonylphenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]acetamide has a molecular weight of 526.64 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[1-[2-(4-methylsulfonylphenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]acetamide is sourced from PubChem (CID 129308147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).