N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide

C19H24N4O3S — CID 129006836

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCc2ccccc21)Cc1cn2c(n1)CCCC2
InChIInChI=1S/C19H24N4O3S/c1-27(25,26)22(13-16-12-21-10-5-4-8-18(21)20-16)14-19(24)23-11-9-15-6-2-3-7-17(15)23/h2-3,6-7,12H,4-5,8-11,13-14H2,1H3
InChIKeyGDKFYTWLZKCAMH-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.57
Rot. Bonds5

About N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide (PubChem CID 129006836) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide
PubChem CID129006836
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCc2ccccc21)Cc1cn2c(n1)CCCC2
InChIInChI=1S/C19H24N4O3S/c1-27(25,26)22(13-16-12-21-10-5-4-8-18(21)20-16)14-19(24)23-11-9-15-6-2-3-7-17(15)23/h2-3,6-7,12H,4-5,8-11,13-14H2,1H3
InChIKeyGDKFYTWLZKCAMH-UHFFFAOYSA-N
XLogP1.57
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-pentylmethanesulfonamide
CID 113153451
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide
CID 113149853
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(4-methylphenyl)methyl]methanesulfonamide
CID 113139023
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 113139349
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)methanesulfonamide
CID 30273145
2-(diethylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 3028969
N-benzyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 8004672
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2-phenylethyl)methanesulfonamide
CID 113140199
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide
CID 113140362
4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzenesulfonamide
CID 30273158
N-butyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 2441689
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide
CID 113139243

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide (CID 129006836) is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCc2ccccc21)Cc1cn2c(n1)CCCC2.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide?
The InChIKey is GDKFYTWLZKCAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-27(25,26)22(13-16-12-21-10-5-4-8-18(21)20-16)14-19(24)23-11-9-15-6-2-3-7-17(15)23/h2-3,6-7,12H,4-5,8-11,13-14H2,1H3.
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide?
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 129006836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).