3-methoxy-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide

C20H25N3O3S — CID 53144927

IUPAC3-methoxy-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NCCc2cn(CC(C)C)c3ncccc23)c1
InChIInChI=1S/C20H25N3O3S/c1-15(2)13-23-14-16(19-8-5-10-21-20(19)23)9-11-22-27(24,25)18-7-4-6-17(12-18)26-3/h4-8,10,12,14-15,22H,9,11,13H2,1-3H3
InChIKeyQSYUICXGPOKIEY-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.22
Rot. Bonds8

About 3-methoxy-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide

3-methoxy-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide (PubChem CID 53144927) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 3-methoxy-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide
PubChem CID53144927
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name3-methoxy-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NCCc2cn(CC(C)C)c3ncccc23)c1
InChIInChI=1S/C20H25N3O3S/c1-15(2)13-23-14-16(19-8-5-10-21-20(19)23)9-11-22-27(24,25)18-7-4-6-17(12-18)26-3/h4-8,10,12,14-15,22H,9,11,13H2,1-3H3
InChIKeyQSYUICXGPOKIEY-UHFFFAOYSA-N
XLogP3.22
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide
CID 53144908
3-fluoro-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide
CID 53144909
N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 53144899
2,4,5-trimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide
CID 53144918
N-[4-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethylsulfamoyl]phenyl]acetamide
CID 53144886
3,5-dimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-1H-pyrazole-4-sulfonamide
CID 53144905
1-(2-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide
CID 53144930
1-(4-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide
CID 53144929
4-chloro-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144823
N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 81258228
N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-methylbenzenesulfonamide
CID 53144736
2,4,5-trimethyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144859

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide?
The IUPAC name of 3-methoxy-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide (CID 53144927) is 3-methoxy-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 3-methoxy-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide is COc1cccc(S(=O)(=O)NCCc2cn(CC(C)C)c3ncccc23)c1.
What is the InChIKey of 3-methoxy-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide?
The InChIKey is QSYUICXGPOKIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-15(2)13-23-14-16(19-8-5-10-21-20(19)23)9-11-22-27(24,25)18-7-4-6-17(12-18)26-3/h4-8,10,12,14-15,22H,9,11,13H2,1-3H3.
What are the key properties of 3-methoxy-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide?
3-methoxy-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide has a molecular weight of 387.51 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 53144927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).