4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide

C14H21F3N4O3S2 — CID 20629111

IUPAC4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C14H21F3N4O3S2/c1-13(2,3)26(23,24)21-9-6-4-8(5-7-9)10(22)18-12-20-19-11(25-12)14(15,16)17/h8-9,21H,4-7H2,1-3H3,(H,18,20,22)
InChIKeyULLMGPKYRKQNRL-UHFFFAOYSA-N
MW414.48 g/mol
LogP2.77
Rot. Bonds4

About 4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide

4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide (PubChem CID 20629111) has the molecular formula C14H21F3N4O3S2 and a molecular weight of 414.48 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide
PubChem CID20629111
Molecular FormulaC14H21F3N4O3S2
Molecular Weight414.48 g/mol
Exact Mass414.10
IUPAC Name4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C14H21F3N4O3S2/c1-13(2,3)26(23,24)21-9-6-4-8(5-7-9)10(22)18-12-20-19-11(25-12)14(15,16)17/h8-9,21H,4-7H2,1-3H3,(H,18,20,22)
InChIKeyULLMGPKYRKQNRL-UHFFFAOYSA-N
XLogP2.77
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide (CID 20629111) is 4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide is CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2nnc(C(F)(F)F)s2)CC1.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide?
The InChIKey is ULLMGPKYRKQNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O3S2/c1-13(2,3)26(23,24)21-9-6-4-8(5-7-9)10(22)18-12-20-19-11(25-12)14(15,16)17/h8-9,21H,4-7H2,1-3H3,(H,18,20,22).
What are the key properties of 4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide?
4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide has a molecular weight of 414.48 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 20629111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).