N-[4-[1-(benzenesulfonyl)-2-ethylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide

C22H20N4O3S — CID 118240784

IUPACN-[4-[1-(benzenesulfonyl)-2-ethylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide
SMILESCCc1cc2c(-c3ccnc(NC(C)=O)c3)cncc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H20N4O3S/c1-3-17-12-19-20(16-9-10-24-22(11-16)25-15(2)27)13-23-14-21(19)26(17)30(28,29)18-7-5-4-6-8-18/h4-14H,3H2,1-2H3,(H,24,25,27)
InChIKeyICOVFWYKXGKMDN-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.86
Rot. Bonds5

About N-[4-[1-(benzenesulfonyl)-2-ethylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide

N-[4-[1-(benzenesulfonyl)-2-ethylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide (PubChem CID 118240784) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[4-[1-(benzenesulfonyl)-2-ethylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(benzenesulfonyl)-2-ethylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide
PubChem CID118240784
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC NameN-[4-[1-(benzenesulfonyl)-2-ethylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide
SMILESCCc1cc2c(-c3ccnc(NC(C)=O)c3)cncc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H20N4O3S/c1-3-17-12-19-20(16-9-10-24-22(11-16)25-15(2)27)13-23-14-21(19)26(17)30(28,29)18-7-5-4-6-8-18/h4-14H,3H2,1-2H3,(H,24,25,27)
InChIKeyICOVFWYKXGKMDN-UHFFFAOYSA-N
XLogP3.86
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[1-(benzenesulfonyl)-2-ethylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(benzenesulfonyl)-2-ethylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[1-(benzenesulfonyl)-2-ethylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide (CID 118240784) is N-[4-[1-(benzenesulfonyl)-2-ethylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[1-(benzenesulfonyl)-2-ethylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[1-(benzenesulfonyl)-2-ethylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide is CCc1cc2c(-c3ccnc(NC(C)=O)c3)cncc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[4-[1-(benzenesulfonyl)-2-ethylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide?
The InChIKey is ICOVFWYKXGKMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-3-17-12-19-20(16-9-10-24-22(11-16)25-15(2)27)13-23-14-21(19)26(17)30(28,29)18-7-5-4-6-8-18/h4-14H,3H2,1-2H3,(H,24,25,27).
What are the key properties of N-[4-[1-(benzenesulfonyl)-2-ethylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide?
N-[4-[1-(benzenesulfonyl)-2-ethylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide has a molecular weight of 420.49 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(benzenesulfonyl)-2-ethylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118240784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).