N-(3-acetyl-2-methyl-1-methylsulfonylindol-5-yl)-N-methylsulfonylpyridine-3-carboxamide

C19H19N3O6S2 — CID 22333236

IUPACN-(3-acetyl-2-methyl-1-methylsulfonylindol-5-yl)-N-methylsulfonylpyridine-3-carboxamide
SMILESCC(=O)c1c(C)n(S(C)(=O)=O)c2ccc(N(C(=O)c3cccnc3)S(C)(=O)=O)cc12
InChIInChI=1S/C19H19N3O6S2/c1-12-18(13(2)23)16-10-15(7-8-17(16)21(12)29(3,25)26)22(30(4,27)28)19(24)14-6-5-9-20-11-14/h5-11H,1-4H3
InChIKeyJNTKKSBKVJOAKJ-UHFFFAOYSA-N
MW449.51 g/mol
LogP1.96
Rot. Bonds5

About N-(3-acetyl-2-methyl-1-methylsulfonylindol-5-yl)-N-methylsulfonylpyridine-3-carboxamide

N-(3-acetyl-2-methyl-1-methylsulfonylindol-5-yl)-N-methylsulfonylpyridine-3-carboxamide (PubChem CID 22333236) has the molecular formula C19H19N3O6S2 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-(3-acetyl-2-methyl-1-methylsulfonylindol-5-yl)-N-methylsulfonylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetyl-2-methyl-1-methylsulfonylindol-5-yl)-N-methylsulfonylpyridine-3-carboxamide
PubChem CID22333236
Molecular FormulaC19H19N3O6S2
Molecular Weight449.51 g/mol
Exact Mass449.07
IUPAC NameN-(3-acetyl-2-methyl-1-methylsulfonylindol-5-yl)-N-methylsulfonylpyridine-3-carboxamide
SMILESCC(=O)c1c(C)n(S(C)(=O)=O)c2ccc(N(C(=O)c3cccnc3)S(C)(=O)=O)cc12
InChIInChI=1S/C19H19N3O6S2/c1-12-18(13(2)23)16-10-15(7-8-17(16)21(12)29(3,25)26)22(30(4,27)28)19(24)14-6-5-9-20-11-14/h5-11H,1-4H3
InChIKeyJNTKKSBKVJOAKJ-UHFFFAOYSA-N
XLogP1.96
TPSA123.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-2-methyl-1-methylsulfonylindol-5-yl)-N-methylsulfonylpyridine-3-carboxamide?
The IUPAC name of N-(3-acetyl-2-methyl-1-methylsulfonylindol-5-yl)-N-methylsulfonylpyridine-3-carboxamide (CID 22333236) is N-(3-acetyl-2-methyl-1-methylsulfonylindol-5-yl)-N-methylsulfonylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-acetyl-2-methyl-1-methylsulfonylindol-5-yl)-N-methylsulfonylpyridine-3-carboxamide?
The canonical SMILES for N-(3-acetyl-2-methyl-1-methylsulfonylindol-5-yl)-N-methylsulfonylpyridine-3-carboxamide is CC(=O)c1c(C)n(S(C)(=O)=O)c2ccc(N(C(=O)c3cccnc3)S(C)(=O)=O)cc12.
What is the InChIKey of N-(3-acetyl-2-methyl-1-methylsulfonylindol-5-yl)-N-methylsulfonylpyridine-3-carboxamide?
The InChIKey is JNTKKSBKVJOAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O6S2/c1-12-18(13(2)23)16-10-15(7-8-17(16)21(12)29(3,25)26)22(30(4,27)28)19(24)14-6-5-9-20-11-14/h5-11H,1-4H3.
What are the key properties of N-(3-acetyl-2-methyl-1-methylsulfonylindol-5-yl)-N-methylsulfonylpyridine-3-carboxamide?
N-(3-acetyl-2-methyl-1-methylsulfonylindol-5-yl)-N-methylsulfonylpyridine-3-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-2-methyl-1-methylsulfonylindol-5-yl)-N-methylsulfonylpyridine-3-carboxamide is sourced from PubChem (CID 22333236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).