2-(benzylsulfonylamino)-N-(5-tert-butyl-1H-pyrazol-3-yl)pentanamide

C19H28N4O3S — CID 91331506

IUPAC2-(benzylsulfonylamino)-N-(5-tert-butyl-1H-pyrazol-3-yl)pentanamide
SMILESCCCC(NS(=O)(=O)Cc1ccccc1)C(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C19H28N4O3S/c1-5-9-15(23-27(25,26)13-14-10-7-6-8-11-14)18(24)20-17-12-16(21-22-17)19(2,3)4/h6-8,10-12,15,23H,5,9,13H2,1-4H3,(H2,20,21,22,24)
InChIKeyQGRGKVYUJWUGLX-UHFFFAOYSA-N
MW392.53 g/mol
LogP2.93
Rot. Bonds8

About 2-(benzylsulfonylamino)-N-(5-tert-butyl-1H-pyrazol-3-yl)pentanamide

2-(benzylsulfonylamino)-N-(5-tert-butyl-1H-pyrazol-3-yl)pentanamide (PubChem CID 91331506) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is 2-(benzylsulfonylamino)-N-(5-tert-butyl-1H-pyrazol-3-yl)pentanamide.

Molecular Properties

Compound Name2-(benzylsulfonylamino)-N-(5-tert-butyl-1H-pyrazol-3-yl)pentanamide
PubChem CID91331506
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC Name2-(benzylsulfonylamino)-N-(5-tert-butyl-1H-pyrazol-3-yl)pentanamide
SMILESCCCC(NS(=O)(=O)Cc1ccccc1)C(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C19H28N4O3S/c1-5-9-15(23-27(25,26)13-14-10-7-6-8-11-14)18(24)20-17-12-16(21-22-17)19(2,3)4/h6-8,10-12,15,23H,5,9,13H2,1-4H3,(H2,20,21,22,24)
InChIKeyQGRGKVYUJWUGLX-UHFFFAOYSA-N
XLogP2.93
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylsulfonylamino)-N-(5-tert-butyl-1H-pyrazol-3-yl)pentanamide?
The IUPAC name of 2-(benzylsulfonylamino)-N-(5-tert-butyl-1H-pyrazol-3-yl)pentanamide (CID 91331506) is 2-(benzylsulfonylamino)-N-(5-tert-butyl-1H-pyrazol-3-yl)pentanamide.
What is the SMILES notation for 2-(benzylsulfonylamino)-N-(5-tert-butyl-1H-pyrazol-3-yl)pentanamide?
The canonical SMILES for 2-(benzylsulfonylamino)-N-(5-tert-butyl-1H-pyrazol-3-yl)pentanamide is CCCC(NS(=O)(=O)Cc1ccccc1)C(=O)Nc1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of 2-(benzylsulfonylamino)-N-(5-tert-butyl-1H-pyrazol-3-yl)pentanamide?
The InChIKey is QGRGKVYUJWUGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-5-9-15(23-27(25,26)13-14-10-7-6-8-11-14)18(24)20-17-12-16(21-22-17)19(2,3)4/h6-8,10-12,15,23H,5,9,13H2,1-4H3,(H2,20,21,22,24).
What are the key properties of 2-(benzylsulfonylamino)-N-(5-tert-butyl-1H-pyrazol-3-yl)pentanamide?
2-(benzylsulfonylamino)-N-(5-tert-butyl-1H-pyrazol-3-yl)pentanamide has a molecular weight of 392.53 g/mol, XLogP of 2.93, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylsulfonylamino)-N-(5-tert-butyl-1H-pyrazol-3-yl)pentanamide is sourced from PubChem (CID 91331506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).