N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)methanesulfonamide

C19H23N3O3S — CID 113139993

IUPACN-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
SMILESCC1Cc2ccccc2N1C(=O)CCN(Cc1cccnc1)S(C)(=O)=O
InChIInChI=1S/C19H23N3O3S/c1-15-12-17-7-3-4-8-18(17)22(15)19(23)9-11-21(26(2,24)25)14-16-6-5-10-20-13-16/h3-8,10,13,15H,9,11-12,14H2,1-2H3
InChIKeyFNXLZZMUIHVGJE-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.21
Rot. Bonds6

About N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)methanesulfonamide

N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)methanesulfonamide (PubChem CID 113139993) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
PubChem CID113139993
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
SMILESCC1Cc2ccccc2N1C(=O)CCN(Cc1cccnc1)S(C)(=O)=O
InChIInChI=1S/C19H23N3O3S/c1-15-12-17-7-3-4-8-18(17)22(15)19(23)9-11-21(26(2,24)25)14-16-6-5-10-20-13-16/h3-8,10,13,15H,9,11-12,14H2,1-2H3
InChIKeyFNXLZZMUIHVGJE-UHFFFAOYSA-N
XLogP2.21
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113139278
1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridin-3-yloxypropan-1-one
CID 110863873
N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 113139886
N-(4-ethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142877
N-benzyl-N-methyl-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
CID 113139894
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] pyridine-3-carboxylate
CID 9413327
2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 108506767
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] pyridine-3-carboxylate
CID 9413325
3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-phenylpropanamide
CID 113139932
N-(3-methoxypropyl)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]methanesulfonamide
CID 113149574
N-(3-chlorophenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113143849
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 113151612

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)methanesulfonamide?
The IUPAC name of N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)methanesulfonamide (CID 113139993) is N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)methanesulfonamide?
The canonical SMILES for N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)methanesulfonamide is CC1Cc2ccccc2N1C(=O)CCN(Cc1cccnc1)S(C)(=O)=O.
What is the InChIKey of N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)methanesulfonamide?
The InChIKey is FNXLZZMUIHVGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-15-12-17-7-3-4-8-18(17)22(15)19(23)9-11-21(26(2,24)25)14-16-6-5-10-20-13-16/h3-8,10,13,15H,9,11-12,14H2,1-2H3.
What are the key properties of N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)methanesulfonamide?
N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)methanesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)methanesulfonamide is sourced from PubChem (CID 113139993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).