N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-1-(oxolan-2-yl)methanesulfonamide

C24H26N4O3S — CID 162705210

IUPACN-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-1-(oxolan-2-yl)methanesulfonamide
SMILESCCc1ccc(-n2cc(-c3ccc4[nH]cc(NS(=O)(=O)CC5CCCO5)c4c3)cn2)cc1
InChIInChI=1S/C24H26N4O3S/c1-2-17-5-8-20(9-6-17)28-15-19(13-26-28)18-7-10-23-22(12-18)24(14-25-23)27-32(29,30)16-21-4-3-11-31-21/h5-10,12-15,21,25,27H,2-4,11,16H2,1H3
InChIKeyXYKNNRITIWQLQR-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.50
Rot. Bonds7

About N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-1-(oxolan-2-yl)methanesulfonamide

N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 162705210) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-1-(oxolan-2-yl)methanesulfonamide
PubChem CID162705210
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC NameN-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-1-(oxolan-2-yl)methanesulfonamide
SMILESCCc1ccc(-n2cc(-c3ccc4[nH]cc(NS(=O)(=O)CC5CCCO5)c4c3)cn2)cc1
InChIInChI=1S/C24H26N4O3S/c1-2-17-5-8-20(9-6-17)28-15-19(13-26-28)18-7-10-23-22(12-18)24(14-25-23)27-32(29,30)16-21-4-3-11-31-21/h5-10,12-15,21,25,27H,2-4,11,16H2,1H3
InChIKeyXYKNNRITIWQLQR-UHFFFAOYSA-N
XLogP4.50
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]cyclopropanesulfonamide
CID 162705212
N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 162705214
[1-[[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]amino]-1-oxopropan-2-yl]carbamic acid
CID 170336742
tert-butyl N-(5-bromo-1H-indol-3-yl)carbamate;[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl] carbamate
CID 175479309
1-[(2R)-oxan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]methanesulfonamide
CID 95307548
N-methyl-N'-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]oxamide
CID 164573407
1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide
CID 95344226
N-(3-methoxycyclobutyl)-N'-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]oxamide
CID 164573382
1-methyl-2-oxo-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]piperidine-4-carboxamide
CID 166951464
2-(1-aminocyclohexyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide
CID 162705288
4,4-difluoro-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]pyrrolidine-2-carboxamide
CID 170336737
1-(4-ethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 95183308

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-1-(oxolan-2-yl)methanesulfonamide (CID 162705210) is N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-1-(oxolan-2-yl)methanesulfonamide is CCc1ccc(-n2cc(-c3ccc4[nH]cc(NS(=O)(=O)CC5CCCO5)c4c3)cn2)cc1.
What is the InChIKey of N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is XYKNNRITIWQLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-2-17-5-8-20(9-6-17)28-15-19(13-26-28)18-7-10-23-22(12-18)24(14-25-23)27-32(29,30)16-21-4-3-11-31-21/h5-10,12-15,21,25,27H,2-4,11,16H2,1H3.
What are the key properties of N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-1-(oxolan-2-yl)methanesulfonamide?
N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 450.56 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 162705210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).