3-[methyl-(1-naphthalen-1-ylsulfonylindazol-6-yl)amino]propanamide

C21H20N4O3S — CID 24770955

IUPAC3-[methyl-(1-naphthalen-1-ylsulfonylindazol-6-yl)amino]propanamide
SMILESCN(CCC(N)=O)c1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1
InChIInChI=1S/C21H20N4O3S/c1-24(12-11-21(22)26)17-10-9-16-14-23-25(19(16)13-17)29(27,28)20-8-4-6-15-5-2-3-7-18(15)20/h2-10,13-14H,11-12H2,1H3,(H2,22,26)
InChIKeyNSUMQZVRWOSPJP-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.74
Rot. Bonds6

About 3-[methyl-(1-naphthalen-1-ylsulfonylindazol-6-yl)amino]propanamide

3-[methyl-(1-naphthalen-1-ylsulfonylindazol-6-yl)amino]propanamide (PubChem CID 24770955) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is 3-[methyl-(1-naphthalen-1-ylsulfonylindazol-6-yl)amino]propanamide.

Molecular Properties

Compound Name3-[methyl-(1-naphthalen-1-ylsulfonylindazol-6-yl)amino]propanamide
PubChem CID24770955
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC Name3-[methyl-(1-naphthalen-1-ylsulfonylindazol-6-yl)amino]propanamide
SMILESCN(CCC(N)=O)c1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1
InChIInChI=1S/C21H20N4O3S/c1-24(12-11-21(22)26)17-10-9-16-14-23-25(19(16)13-17)29(27,28)20-8-4-6-15-5-2-3-7-18(15)20/h2-10,13-14H,11-12H2,1H3,(H2,22,26)
InChIKeyNSUMQZVRWOSPJP-UHFFFAOYSA-N
XLogP2.74
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(1-naphthalen-1-ylsulfonylindazol-6-yl)amino]propanamide?
The IUPAC name of 3-[methyl-(1-naphthalen-1-ylsulfonylindazol-6-yl)amino]propanamide (CID 24770955) is 3-[methyl-(1-naphthalen-1-ylsulfonylindazol-6-yl)amino]propanamide.
What is the SMILES notation for 3-[methyl-(1-naphthalen-1-ylsulfonylindazol-6-yl)amino]propanamide?
The canonical SMILES for 3-[methyl-(1-naphthalen-1-ylsulfonylindazol-6-yl)amino]propanamide is CN(CCC(N)=O)c1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1.
What is the InChIKey of 3-[methyl-(1-naphthalen-1-ylsulfonylindazol-6-yl)amino]propanamide?
The InChIKey is NSUMQZVRWOSPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-24(12-11-21(22)26)17-10-9-16-14-23-25(19(16)13-17)29(27,28)20-8-4-6-15-5-2-3-7-18(15)20/h2-10,13-14H,11-12H2,1H3,(H2,22,26).
What are the key properties of 3-[methyl-(1-naphthalen-1-ylsulfonylindazol-6-yl)amino]propanamide?
3-[methyl-(1-naphthalen-1-ylsulfonylindazol-6-yl)amino]propanamide has a molecular weight of 408.48 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(1-naphthalen-1-ylsulfonylindazol-6-yl)amino]propanamide is sourced from PubChem (CID 24770955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).