N-[(1S)-6-[3-(1H-pyrazol-4-yl)propylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]benzamide

C22H24N4O3S — CID 95806366

IUPACN-[(1S)-6-[3-(1H-pyrazol-4-yl)propylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESO=C(N[C@H]1CCc2ccc(S(=O)(=O)NCCCc3cn[nH]c3)cc21)c1ccccc1
InChIInChI=1S/C22H24N4O3S/c27-22(18-6-2-1-3-7-18)26-21-11-9-17-8-10-19(13-20(17)21)30(28,29)25-12-4-5-16-14-23-24-15-16/h1-3,6-8,10,13-15,21,25H,4-5,9,11-12H2,(H,23,24)(H,26,27)/t21-/m0/s1
InChIKeyVPHPQGYBTKDWTJ-NRFANRHFSA-N
MW424.53 g/mol
LogP2.74
Rot. Bonds8

About N-[(1S)-6-[3-(1H-pyrazol-4-yl)propylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]benzamide

N-[(1S)-6-[3-(1H-pyrazol-4-yl)propylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 95806366) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-[(1S)-6-[3-(1H-pyrazol-4-yl)propylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound NameN-[(1S)-6-[3-(1H-pyrazol-4-yl)propylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID95806366
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-[(1S)-6-[3-(1H-pyrazol-4-yl)propylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESO=C(N[C@H]1CCc2ccc(S(=O)(=O)NCCCc3cn[nH]c3)cc21)c1ccccc1
InChIInChI=1S/C22H24N4O3S/c27-22(18-6-2-1-3-7-18)26-21-11-9-17-8-10-19(13-20(17)21)30(28,29)25-12-4-5-16-14-23-24-15-16/h1-3,6-8,10,13-15,21,25H,4-5,9,11-12H2,(H,23,24)(H,26,27)/t21-/m0/s1
InChIKeyVPHPQGYBTKDWTJ-NRFANRHFSA-N
XLogP2.74
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-6-[3-(1H-pyrazol-4-yl)propylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of N-[(1S)-6-[3-(1H-pyrazol-4-yl)propylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]benzamide (CID 95806366) is N-[(1S)-6-[3-(1H-pyrazol-4-yl)propylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for N-[(1S)-6-[3-(1H-pyrazol-4-yl)propylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for N-[(1S)-6-[3-(1H-pyrazol-4-yl)propylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]benzamide is O=C(N[C@H]1CCc2ccc(S(=O)(=O)NCCCc3cn[nH]c3)cc21)c1ccccc1.
What is the InChIKey of N-[(1S)-6-[3-(1H-pyrazol-4-yl)propylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is VPHPQGYBTKDWTJ-NRFANRHFSA-N. The full InChI is InChI=1S/C22H24N4O3S/c27-22(18-6-2-1-3-7-18)26-21-11-9-17-8-10-19(13-20(17)21)30(28,29)25-12-4-5-16-14-23-24-15-16/h1-3,6-8,10,13-15,21,25H,4-5,9,11-12H2,(H,23,24)(H,26,27)/t21-/m0/s1.
What are the key properties of N-[(1S)-6-[3-(1H-pyrazol-4-yl)propylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]benzamide?
N-[(1S)-6-[3-(1H-pyrazol-4-yl)propylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 424.53 g/mol, XLogP of 2.74, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-6-[3-(1H-pyrazol-4-yl)propylsulfamoyl]-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 95806366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).