N-[3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]-2,6-dimethoxybenzamide

C25H24N2O4S — CID 19300050

IUPACN-[3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cccc(SCC(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C25H24N2O4S/c1-30-21-11-6-12-22(31-2)24(21)25(29)26-18-8-5-9-19(15-18)32-16-23(28)27-14-13-17-7-3-4-10-20(17)27/h3-12,15H,13-14,16H2,1-2H3,(H,26,29)
InChIKeyOKMYIGMZEXWULB-UHFFFAOYSA-N
MW448.54 g/mol
LogP4.64
Rot. Bonds7

About N-[3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]-2,6-dimethoxybenzamide

N-[3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]-2,6-dimethoxybenzamide (PubChem CID 19300050) has the molecular formula C25H24N2O4S and a molecular weight of 448.54 g/mol. Its IUPAC name is N-[3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]-2,6-dimethoxybenzamide
PubChem CID19300050
Molecular FormulaC25H24N2O4S
Molecular Weight448.54 g/mol
Exact Mass448.15
IUPAC NameN-[3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cccc(SCC(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C25H24N2O4S/c1-30-21-11-6-12-22(31-2)24(21)25(29)26-18-8-5-9-19(15-18)32-16-23(28)27-14-13-17-7-3-4-10-20(17)27/h3-12,15H,13-14,16H2,1-2H3,(H,26,29)
InChIKeyOKMYIGMZEXWULB-UHFFFAOYSA-N
XLogP4.64
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(Z)-3-[3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylanilino]-1-(2,3-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19301805
N-[3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide
CID 19299979
2,6-dimethoxy-N-[3-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 18907954
N-[3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylphenyl]-4-nitrobenzamide
CID 19299986
2-[[3-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18894883
N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 19631179
2,6-dimethoxy-N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19299834
N-[(Z)-3-[3-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]sulfanylanilino]-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19301816
2,6-dimethoxy-N-[3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylphenyl]benzamide
CID 18907944
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylsulfanylethanone
CID 3476595
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone
CID 9080490
2-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide
CID 6495515

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]-2,6-dimethoxybenzamide (CID 19300050) is N-[3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1cccc(SCC(=O)N2CCc3ccccc32)c1.
What is the InChIKey of N-[3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]-2,6-dimethoxybenzamide?
The InChIKey is OKMYIGMZEXWULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4S/c1-30-21-11-6-12-22(31-2)24(21)25(29)26-18-8-5-9-19(15-18)32-16-23(28)27-14-13-17-7-3-4-10-20(17)27/h3-12,15H,13-14,16H2,1-2H3,(H,26,29).
What are the key properties of N-[3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]-2,6-dimethoxybenzamide?
N-[3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]-2,6-dimethoxybenzamide has a molecular weight of 448.54 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 19300050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).