2-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]-4,5,6,7-tetrahydroindazole-3-carboxamide

C19H26N4O3S — CID 131926805

IUPAC2-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCc1ccc(S(=O)(=O)NCCCNC(=O)c2c3c(nn2C)CCCC3)cc1
InChIInChI=1S/C19H26N4O3S/c1-14-8-10-15(11-9-14)27(25,26)21-13-5-12-20-19(24)18-16-6-3-4-7-17(16)22-23(18)2/h8-11,21H,3-7,12-13H2,1-2H3,(H,20,24)
InChIKeyJUKFUJAUBIOSGA-UHFFFAOYSA-N
MW390.51 g/mol
LogP1.71
Rot. Bonds7

About 2-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]-4,5,6,7-tetrahydroindazole-3-carboxamide

2-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 131926805) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID131926805
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name2-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCc1ccc(S(=O)(=O)NCCCNC(=O)c2c3c(nn2C)CCCC3)cc1
InChIInChI=1S/C19H26N4O3S/c1-14-8-10-15(11-9-14)27(25,26)21-13-5-12-20-19(24)18-16-6-3-4-7-17(16)22-23(18)2/h8-11,21H,3-7,12-13H2,1-2H3,(H,20,24)
InChIKeyJUKFUJAUBIOSGA-UHFFFAOYSA-N
XLogP1.71
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 131926805) is 2-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is Cc1ccc(S(=O)(=O)NCCCNC(=O)c2c3c(nn2C)CCCC3)cc1.
What is the InChIKey of 2-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is JUKFUJAUBIOSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-14-8-10-15(11-9-14)27(25,26)21-13-5-12-20-19(24)18-16-6-3-4-7-17(16)22-23(18)2/h8-11,21H,3-7,12-13H2,1-2H3,(H,20,24).
What are the key properties of 2-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
2-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 131926805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).