N-[5-(4,5-dichlorothiophene-2-carbonyl)-5-azaspiro[2.4]heptan-7-yl]-3-fluoro-N-methylcyclobutane-1-carboxamide

C17H19Cl2FN2O2S — CID 167757282

IUPACN-[5-(4,5-dichlorothiophene-2-carbonyl)-5-azaspiro[2.4]heptan-7-yl]-3-fluoro-N-methylcyclobutane-1-carboxamide
SMILESCN(C(=O)C1CC(F)C1)C1CN(C(=O)c2cc(Cl)c(Cl)s2)CC12CC2
InChIInChI=1S/C17H19Cl2FN2O2S/c1-21(15(23)9-4-10(20)5-9)13-7-22(8-17(13)2-3-17)16(24)12-6-11(18)14(19)25-12/h6,9-10,13H,2-5,7-8H2,1H3
InChIKeyTVPSKFVVSKOYBH-UHFFFAOYSA-N
MW405.32 g/mol
LogP3.87
Rot. Bonds3

About N-[5-(4,5-dichlorothiophene-2-carbonyl)-5-azaspiro[2.4]heptan-7-yl]-3-fluoro-N-methylcyclobutane-1-carboxamide

N-[5-(4,5-dichlorothiophene-2-carbonyl)-5-azaspiro[2.4]heptan-7-yl]-3-fluoro-N-methylcyclobutane-1-carboxamide (PubChem CID 167757282) has the molecular formula C17H19Cl2FN2O2S and a molecular weight of 405.32 g/mol. Its IUPAC name is N-[5-(4,5-dichlorothiophene-2-carbonyl)-5-azaspiro[2.4]heptan-7-yl]-3-fluoro-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(4,5-dichlorothiophene-2-carbonyl)-5-azaspiro[2.4]heptan-7-yl]-3-fluoro-N-methylcyclobutane-1-carboxamide
PubChem CID167757282
Molecular FormulaC17H19Cl2FN2O2S
Molecular Weight405.32 g/mol
Exact Mass404.05
IUPAC NameN-[5-(4,5-dichlorothiophene-2-carbonyl)-5-azaspiro[2.4]heptan-7-yl]-3-fluoro-N-methylcyclobutane-1-carboxamide
SMILESCN(C(=O)C1CC(F)C1)C1CN(C(=O)c2cc(Cl)c(Cl)s2)CC12CC2
InChIInChI=1S/C17H19Cl2FN2O2S/c1-21(15(23)9-4-10(20)5-9)13-7-22(8-17(13)2-3-17)16(24)12-6-11(18)14(19)25-12/h6,9-10,13H,2-5,7-8H2,1H3
InChIKeyTVPSKFVVSKOYBH-UHFFFAOYSA-N
XLogP3.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.32
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[5-(4,5-dichlorothiophene-2-carbonyl)-5-azaspiro[2.4]heptan-7-yl]-3-fluoro-N-methylcyclobutane-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 N-[5-(4,5-dichlorothiophene-2-carbonyl)-5-azaspiro[2.4]heptan-7-yl]-3-fluoro-N-methylcyclobutane-1-carboxamide?
The IUPAC name of N-[5-(4,5-dichlorothiophene-2-carbonyl)-5-azaspiro[2.4]heptan-7-yl]-3-fluoro-N-methylcyclobutane-1-carboxamide (CID 167757282) is N-[5-(4,5-dichlorothiophene-2-carbonyl)-5-azaspiro[2.4]heptan-7-yl]-3-fluoro-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[5-(4,5-dichlorothiophene-2-carbonyl)-5-azaspiro[2.4]heptan-7-yl]-3-fluoro-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-[5-(4,5-dichlorothiophene-2-carbonyl)-5-azaspiro[2.4]heptan-7-yl]-3-fluoro-N-methylcyclobutane-1-carboxamide is CN(C(=O)C1CC(F)C1)C1CN(C(=O)c2cc(Cl)c(Cl)s2)CC12CC2.
What is the InChIKey of N-[5-(4,5-dichlorothiophene-2-carbonyl)-5-azaspiro[2.4]heptan-7-yl]-3-fluoro-N-methylcyclobutane-1-carboxamide?
The InChIKey is TVPSKFVVSKOYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2FN2O2S/c1-21(15(23)9-4-10(20)5-9)13-7-22(8-17(13)2-3-17)16(24)12-6-11(18)14(19)25-12/h6,9-10,13H,2-5,7-8H2,1H3.
What are the key properties of N-[5-(4,5-dichlorothiophene-2-carbonyl)-5-azaspiro[2.4]heptan-7-yl]-3-fluoro-N-methylcyclobutane-1-carboxamide?
N-[5-(4,5-dichlorothiophene-2-carbonyl)-5-azaspiro[2.4]heptan-7-yl]-3-fluoro-N-methylcyclobutane-1-carboxamide has a molecular weight of 405.32 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4,5-dichlorothiophene-2-carbonyl)-5-azaspiro[2.4]heptan-7-yl]-3-fluoro-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 167757282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).