N-[4-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethylsulfamoyl]phenyl]acetamide

C21H26N4O3S — CID 53144886

IUPACN-[4-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCc2cn(CC(C)C)c3ncccc23)cc1
InChIInChI=1S/C21H26N4O3S/c1-15(2)13-25-14-17(20-5-4-11-22-21(20)25)10-12-23-29(27,28)19-8-6-18(7-9-19)24-16(3)26/h4-9,11,14-15,23H,10,12-13H2,1-3H3,(H,24,26)
InChIKeyANLNALZAERHXKR-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.17
Rot. Bonds8

About N-[4-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethylsulfamoyl]phenyl]acetamide

N-[4-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethylsulfamoyl]phenyl]acetamide (PubChem CID 53144886) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-[4-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethylsulfamoyl]phenyl]acetamide
PubChem CID53144886
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC NameN-[4-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCc2cn(CC(C)C)c3ncccc23)cc1
InChIInChI=1S/C21H26N4O3S/c1-15(2)13-25-14-17(20-5-4-11-22-21(20)25)10-12-23-29(27,28)19-8-6-18(7-9-19)24-16(3)26/h4-9,11,14-15,23H,10,12-13H2,1-3H3,(H,24,26)
InChIKeyANLNALZAERHXKR-UHFFFAOYSA-N
XLogP3.17
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-methoxy-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide
CID 53144927
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
N-[4-(3-pyrrolo[2,3-b]pyridin-1-ylpropylsulfamoyl)phenyl]acetamide
CID 90556439
6-chloro-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-3-carboxamide
CID 53145168
N-[4-[2-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethylsulfamoyl]phenyl]acetamide
CID 50762311
2-chloro-5-fluoro-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzamide
CID 53145176
N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-methylbenzenesulfonamide
CID 53144736
N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]propanamide
CID 53145138

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethylsulfamoyl]phenyl]acetamide (CID 53144886) is N-[4-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCCc2cn(CC(C)C)c3ncccc23)cc1.
What is the InChIKey of N-[4-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethylsulfamoyl]phenyl]acetamide?
The InChIKey is ANLNALZAERHXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-15(2)13-25-14-17(20-5-4-11-22-21(20)25)10-12-23-29(27,28)19-8-6-18(7-9-19)24-16(3)26/h4-9,11,14-15,23H,10,12-13H2,1-3H3,(H,24,26).
What are the key properties of N-[4-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethylsulfamoyl]phenyl]acetamide?
N-[4-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethylsulfamoyl]phenyl]acetamide has a molecular weight of 414.53 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 53144886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).