3-(diethylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide

C24H26N4O3S — CID 25263301

IUPAC3-(diethylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide
SMILESCCN(CC)CCC(=O)Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1
InChIInChI=1S/C24H26N4O3S/c1-3-27(4-2)15-14-24(29)26-20-13-12-19-17-25-28(22(19)16-20)32(30,31)23-11-7-9-18-8-5-6-10-21(18)23/h5-13,16-17H,3-4,14-15H2,1-2H3,(H,26,29)
InChIKeyNRQVHXNSSQTDNI-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.10
Rot. Bonds8

About 3-(diethylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide

3-(diethylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide (PubChem CID 25263301) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is 3-(diethylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide.

Molecular Properties

Compound Name3-(diethylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide
PubChem CID25263301
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC Name3-(diethylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide
SMILESCCN(CC)CCC(=O)Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1
InChIInChI=1S/C24H26N4O3S/c1-3-27(4-2)15-14-24(29)26-20-13-12-19-17-25-28(22(19)16-20)32(30,31)23-11-7-9-18-8-5-6-10-21(18)23/h5-13,16-17H,3-4,14-15H2,1-2H3,(H,26,29)
InChIKeyNRQVHXNSSQTDNI-UHFFFAOYSA-N
XLogP4.10
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide?
The IUPAC name of 3-(diethylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide (CID 25263301) is 3-(diethylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide.
What is the SMILES notation for 3-(diethylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide?
The canonical SMILES for 3-(diethylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide is CCN(CC)CCC(=O)Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1.
What is the InChIKey of 3-(diethylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide?
The InChIKey is NRQVHXNSSQTDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-3-27(4-2)15-14-24(29)26-20-13-12-19-17-25-28(22(19)16-20)32(30,31)23-11-7-9-18-8-5-6-10-21(18)23/h5-13,16-17H,3-4,14-15H2,1-2H3,(H,26,29).
What are the key properties of 3-(diethylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide?
3-(diethylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide has a molecular weight of 450.56 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-N-(1-naphthalen-1-ylsulfonylindazol-6-yl)propanamide is sourced from PubChem (CID 25263301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).