5-(propan-2-ylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide

C11H17F3N4O3S2 — CID 20629221

IUPAC5-(propan-2-ylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide
SMILESCC(C)S(=O)(=O)NCCCCC(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C11H17F3N4O3S2/c1-7(2)23(20,21)15-6-4-3-5-8(19)16-10-18-17-9(22-10)11(12,13)14/h7,15H,3-6H2,1-2H3,(H,16,18,19)
InChIKeyLHPSMZBCHPEMAK-UHFFFAOYSA-N
MW374.41 g/mol
LogP1.99
Rot. Bonds8

About 5-(propan-2-ylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide

5-(propan-2-ylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide (PubChem CID 20629221) has the molecular formula C11H17F3N4O3S2 and a molecular weight of 374.41 g/mol. Its IUPAC name is 5-(propan-2-ylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide.

Molecular Properties

Compound Name5-(propan-2-ylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide
PubChem CID20629221
Molecular FormulaC11H17F3N4O3S2
Molecular Weight374.41 g/mol
Exact Mass374.07
IUPAC Name5-(propan-2-ylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide
SMILESCC(C)S(=O)(=O)NCCCCC(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C11H17F3N4O3S2/c1-7(2)23(20,21)15-6-4-3-5-8(19)16-10-18-17-9(22-10)11(12,13)14/h7,15H,3-6H2,1-2H3,(H,16,18,19)
InChIKeyLHPSMZBCHPEMAK-UHFFFAOYSA-N
XLogP1.99
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 5-(propan-2-ylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide?
The IUPAC name of 5-(propan-2-ylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide (CID 20629221) is 5-(propan-2-ylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide.
What is the SMILES notation for 5-(propan-2-ylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide?
The canonical SMILES for 5-(propan-2-ylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide is CC(C)S(=O)(=O)NCCCCC(=O)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 5-(propan-2-ylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide?
The InChIKey is LHPSMZBCHPEMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O3S2/c1-7(2)23(20,21)15-6-4-3-5-8(19)16-10-18-17-9(22-10)11(12,13)14/h7,15H,3-6H2,1-2H3,(H,16,18,19).
What are the key properties of 5-(propan-2-ylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide?
5-(propan-2-ylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide has a molecular weight of 374.41 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propan-2-ylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide is sourced from PubChem (CID 20629221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).