N-[(1S,2S)-1-(1-cyclopentylindazol-5-yl)oxy-1-phenylpropan-2-yl]cyclopropanesulfonamide

C24H29N3O3S — CID 66686936

IUPACN-[(1S,2S)-1-(1-cyclopentylindazol-5-yl)oxy-1-phenylpropan-2-yl]cyclopropanesulfonamide
SMILESC[C@H](NS(=O)(=O)C1CC1)[C@@H](Oc1ccc2c(cnn2C2CCCC2)c1)c1ccccc1
InChIInChI=1S/C24H29N3O3S/c1-17(26-31(28,29)22-12-13-22)24(18-7-3-2-4-8-18)30-21-11-14-23-19(15-21)16-25-27(23)20-9-5-6-10-20/h2-4,7-8,11,14-17,20,22,24,26H,5-6,9-10,12-13H2,1H3/t17-,24+/m0/s1
InChIKeyZFBVGIIULMWZAI-BXKMTCNYSA-N
MW439.58 g/mol
LogP4.74
Rot. Bonds8

About N-[(1S,2S)-1-(1-cyclopentylindazol-5-yl)oxy-1-phenylpropan-2-yl]cyclopropanesulfonamide

N-[(1S,2S)-1-(1-cyclopentylindazol-5-yl)oxy-1-phenylpropan-2-yl]cyclopropanesulfonamide (PubChem CID 66686936) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-[(1S,2S)-1-(1-cyclopentylindazol-5-yl)oxy-1-phenylpropan-2-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-(1-cyclopentylindazol-5-yl)oxy-1-phenylpropan-2-yl]cyclopropanesulfonamide
PubChem CID66686936
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC NameN-[(1S,2S)-1-(1-cyclopentylindazol-5-yl)oxy-1-phenylpropan-2-yl]cyclopropanesulfonamide
SMILESC[C@H](NS(=O)(=O)C1CC1)[C@@H](Oc1ccc2c(cnn2C2CCCC2)c1)c1ccccc1
InChIInChI=1S/C24H29N3O3S/c1-17(26-31(28,29)22-12-13-22)24(18-7-3-2-4-8-18)30-21-11-14-23-19(15-21)16-25-27(23)20-9-5-6-10-20/h2-4,7-8,11,14-17,20,22,24,26H,5-6,9-10,12-13H2,1H3/t17-,24+/m0/s1
InChIKeyZFBVGIIULMWZAI-BXKMTCNYSA-N
XLogP4.74
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1-(1-cyclopentylindazol-5-yl)oxy-1-phenylpropan-2-yl]cyclopropanesulfonamide?
The IUPAC name of N-[(1S,2S)-1-(1-cyclopentylindazol-5-yl)oxy-1-phenylpropan-2-yl]cyclopropanesulfonamide (CID 66686936) is N-[(1S,2S)-1-(1-cyclopentylindazol-5-yl)oxy-1-phenylpropan-2-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(1S,2S)-1-(1-cyclopentylindazol-5-yl)oxy-1-phenylpropan-2-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[(1S,2S)-1-(1-cyclopentylindazol-5-yl)oxy-1-phenylpropan-2-yl]cyclopropanesulfonamide is C[C@H](NS(=O)(=O)C1CC1)[C@@H](Oc1ccc2c(cnn2C2CCCC2)c1)c1ccccc1.
What is the InChIKey of N-[(1S,2S)-1-(1-cyclopentylindazol-5-yl)oxy-1-phenylpropan-2-yl]cyclopropanesulfonamide?
The InChIKey is ZFBVGIIULMWZAI-BXKMTCNYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-17(26-31(28,29)22-12-13-22)24(18-7-3-2-4-8-18)30-21-11-14-23-19(15-21)16-25-27(23)20-9-5-6-10-20/h2-4,7-8,11,14-17,20,22,24,26H,5-6,9-10,12-13H2,1H3/t17-,24+/m0/s1.
What are the key properties of N-[(1S,2S)-1-(1-cyclopentylindazol-5-yl)oxy-1-phenylpropan-2-yl]cyclopropanesulfonamide?
N-[(1S,2S)-1-(1-cyclopentylindazol-5-yl)oxy-1-phenylpropan-2-yl]cyclopropanesulfonamide has a molecular weight of 439.58 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1-(1-cyclopentylindazol-5-yl)oxy-1-phenylpropan-2-yl]cyclopropanesulfonamide is sourced from PubChem (CID 66686936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).