2-[4-[4-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylacetamide

C18H20N4O3S — CID 24985628

IUPAC2-[4-[4-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1cc2c(-c3ccc(NS(C)(=O)=O)cc3)ccnc2[nH]1
InChIInChI=1S/C18H20N4O3S/c1-22(2)17(23)11-14-10-16-15(8-9-19-18(16)20-14)12-4-6-13(7-5-12)21-26(3,24)25/h4-10,21H,11H2,1-3H3,(H,19,20)
InChIKeyYZWJOIRPPXNLQE-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.23
Rot. Bonds5

About 2-[4-[4-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylacetamide

2-[4-[4-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylacetamide (PubChem CID 24985628) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-[4-[4-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[4-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylacetamide
PubChem CID24985628
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name2-[4-[4-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1cc2c(-c3ccc(NS(C)(=O)=O)cc3)ccnc2[nH]1
InChIInChI=1S/C18H20N4O3S/c1-22(2)17(23)11-14-10-16-15(8-9-19-18(16)20-14)12-4-6-13(7-5-12)21-26(3,24)25/h4-10,21H,11H2,1-3H3,(H,19,20)
InChIKeyYZWJOIRPPXNLQE-UHFFFAOYSA-N
XLogP2.23
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[4-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylacetamide (CID 24985628) is 2-[4-[4-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[4-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[4-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1cc2c(-c3ccc(NS(C)(=O)=O)cc3)ccnc2[nH]1.
What is the InChIKey of 2-[4-[4-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylacetamide?
The InChIKey is YZWJOIRPPXNLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-22(2)17(23)11-14-10-16-15(8-9-19-18(16)20-14)12-4-6-13(7-5-12)21-26(3,24)25/h4-10,21H,11H2,1-3H3,(H,19,20).
What are the key properties of 2-[4-[4-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylacetamide?
2-[4-[4-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylacetamide has a molecular weight of 372.45 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 24985628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).