N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide

C20H28N4O3S — CID 55975923

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
SMILESCC(C)(C)c1cc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)n[nH]1
InChIInChI=1S/C20H28N4O3S/c1-20(2,3)17-13-18(24-23-17)22-19(25)10-11-21-28(26,27)16-9-8-14-6-4-5-7-15(14)12-16/h8-9,12-13,21H,4-7,10-11H2,1-3H3,(H2,22,23,24,25)
InChIKeyDPFXHJBDPQPMFE-UHFFFAOYSA-N
MW404.54 g/mol
LogP2.89
Rot. Bonds6

About N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide (PubChem CID 55975923) has the molecular formula C20H28N4O3S and a molecular weight of 404.54 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
PubChem CID55975923
Molecular FormulaC20H28N4O3S
Molecular Weight404.54 g/mol
Exact Mass404.19
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
SMILESCC(C)(C)c1cc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)n[nH]1
InChIInChI=1S/C20H28N4O3S/c1-20(2,3)17-13-18(24-23-17)22-19(25)10-11-21-28(26,27)16-9-8-14-6-4-5-7-15(14)12-16/h8-9,12-13,21H,4-7,10-11H2,1-3H3,(H2,22,23,24,25)
InChIKeyDPFXHJBDPQPMFE-UHFFFAOYSA-N
XLogP2.89
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide (CID 55975923) is N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide is CC(C)(C)c1cc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)n[nH]1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
The InChIKey is DPFXHJBDPQPMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3S/c1-20(2,3)17-13-18(24-23-17)22-19(25)10-11-21-28(26,27)16-9-8-14-6-4-5-7-15(14)12-16/h8-9,12-13,21H,4-7,10-11H2,1-3H3,(H2,22,23,24,25).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide has a molecular weight of 404.54 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 55975923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).