N-(3,4-dimethoxythiophen-2-yl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide

C19H21NO7S2 — CID 166369441

IUPACN-(3,4-dimethoxythiophen-2-yl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
SMILESCOc1csc(S(=O)(=O)NC(=O)COc2ccc(C)c3c2C(=O)CC3C)c1OC
InChIInChI=1S/C19H21NO7S2/c1-10-5-6-13(17-12(21)7-11(2)16(10)17)27-8-15(22)20-29(23,24)19-18(26-4)14(25-3)9-28-19/h5-6,9,11H,7-8H2,1-4H3,(H,20,22)
InChIKeyZTBIJQNWIXZGAW-UHFFFAOYSA-N
MW439.51 g/mol
LogP2.65
Rot. Bonds7

About N-(3,4-dimethoxythiophen-2-yl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide

N-(3,4-dimethoxythiophen-2-yl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide (PubChem CID 166369441) has the molecular formula C19H21NO7S2 and a molecular weight of 439.51 g/mol. Its IUPAC name is N-(3,4-dimethoxythiophen-2-yl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxythiophen-2-yl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
PubChem CID166369441
Molecular FormulaC19H21NO7S2
Molecular Weight439.51 g/mol
Exact Mass439.08
IUPAC NameN-(3,4-dimethoxythiophen-2-yl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
SMILESCOc1csc(S(=O)(=O)NC(=O)COc2ccc(C)c3c2C(=O)CC3C)c1OC
InChIInChI=1S/C19H21NO7S2/c1-10-5-6-13(17-12(21)7-11(2)16(10)17)27-8-15(22)20-29(23,24)19-18(26-4)14(25-3)9-28-19/h5-6,9,11H,7-8H2,1-4H3,(H,20,22)
InChIKeyZTBIJQNWIXZGAW-UHFFFAOYSA-N
XLogP2.65
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-methylphenyl)sulfonylacetamide
CID 167782230
N-(4-bromophenyl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
CID 167802037
N-[(3,4-dimethoxyphenyl)methyl]-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
CID 17408178
N-[5-[[2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 167895405
N-(3-bromo-4,5-difluorophenyl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
CID 166369752
N-cyclopropyl-2-[[(1S)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide
CID 51446448
2-[[(1R)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 25485900
3,4-dimethyl-7-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethoxy]-2,3-dihydroinden-1-one
CID 47015857
2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-iodophenyl)acetamide
CID 24582153
2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-phenylphenyl)acetamide
CID 24582157
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
CID 42927570
3-[[2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetyl]amino]-N-methylbenzamide
CID 24582188

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxythiophen-2-yl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide?
The IUPAC name of N-(3,4-dimethoxythiophen-2-yl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide (CID 166369441) is N-(3,4-dimethoxythiophen-2-yl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide.
What is the SMILES notation for N-(3,4-dimethoxythiophen-2-yl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide?
The canonical SMILES for N-(3,4-dimethoxythiophen-2-yl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide is COc1csc(S(=O)(=O)NC(=O)COc2ccc(C)c3c2C(=O)CC3C)c1OC.
What is the InChIKey of N-(3,4-dimethoxythiophen-2-yl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide?
The InChIKey is ZTBIJQNWIXZGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO7S2/c1-10-5-6-13(17-12(21)7-11(2)16(10)17)27-8-15(22)20-29(23,24)19-18(26-4)14(25-3)9-28-19/h5-6,9,11H,7-8H2,1-4H3,(H,20,22).
What are the key properties of N-(3,4-dimethoxythiophen-2-yl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide?
N-(3,4-dimethoxythiophen-2-yl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide has a molecular weight of 439.51 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxythiophen-2-yl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide is sourced from PubChem (CID 166369441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).