N-[4-[7-methyl-1-(2-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide

C22H20N4O3S — CID 118246517

IUPACN-[4-[7-methyl-1-(2-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)c2ccccc2C)ccn1
InChIInChI=1S/C22H20N4O3S/c1-14-6-4-5-7-20(14)30(28,29)26-11-9-18-19(13-24-15(2)22(18)26)17-8-10-23-21(12-17)25-16(3)27/h4-13H,1-3H3,(H,23,25,27)
InChIKeyFADKIMZXEANPAA-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.91
Rot. Bonds4

About N-[4-[7-methyl-1-(2-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide

N-[4-[7-methyl-1-(2-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide (PubChem CID 118246517) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[4-[7-methyl-1-(2-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[7-methyl-1-(2-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide
PubChem CID118246517
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC NameN-[4-[7-methyl-1-(2-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)c2ccccc2C)ccn1
InChIInChI=1S/C22H20N4O3S/c1-14-6-4-5-7-20(14)30(28,29)26-11-9-18-19(13-24-15(2)22(18)26)17-8-10-23-21(12-17)25-16(3)27/h4-13H,1-3H3,(H,23,25,27)
InChIKeyFADKIMZXEANPAA-UHFFFAOYSA-N
XLogP3.91
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[7-methyl-1-(2-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[7-methyl-1-(2-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide (CID 118246517) is N-[4-[7-methyl-1-(2-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[7-methyl-1-(2-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[7-methyl-1-(2-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)c2ccccc2C)ccn1.
What is the InChIKey of N-[4-[7-methyl-1-(2-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide?
The InChIKey is FADKIMZXEANPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-14-6-4-5-7-20(14)30(28,29)26-11-9-18-19(13-24-15(2)22(18)26)17-8-10-23-21(12-17)25-16(3)27/h4-13H,1-3H3,(H,23,25,27).
What are the key properties of N-[4-[7-methyl-1-(2-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide?
N-[4-[7-methyl-1-(2-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide has a molecular weight of 420.49 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-methyl-1-(2-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118246517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).