N-(4-fluoro-3-methylphenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)benzamide

C19H19FN2O4S — CID 90075165

IUPACN-(4-fluoro-3-methylphenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)N3CC4(COC4)C3)c2)ccc1F
InChIInChI=1S/C19H19FN2O4S/c1-13-7-15(5-6-17(13)20)21-18(23)14-3-2-4-16(8-14)27(24,25)22-9-19(10-22)11-26-12-19/h2-8H,9-12H2,1H3,(H,21,23)
InChIKeyWBKYGVMFCAYAAF-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.41
Rot. Bonds4

About N-(4-fluoro-3-methylphenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)benzamide

N-(4-fluoro-3-methylphenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)benzamide (PubChem CID 90075165) has the molecular formula C19H19FN2O4S and a molecular weight of 390.44 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)benzamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)benzamide
PubChem CID90075165
Molecular FormulaC19H19FN2O4S
Molecular Weight390.44 g/mol
Exact Mass390.10
IUPAC NameN-(4-fluoro-3-methylphenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)N3CC4(COC4)C3)c2)ccc1F
InChIInChI=1S/C19H19FN2O4S/c1-13-7-15(5-6-17(13)20)21-18(23)14-3-2-4-16(8-14)27(24,25)22-9-19(10-22)11-26-12-19/h2-8H,9-12H2,1H3,(H,21,23)
InChIKeyWBKYGVMFCAYAAF-UHFFFAOYSA-N
XLogP2.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-fluoro-3-methylphenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-fluoro-3-methylphenyl)-3-(1,4-oxazepan-4-ylsulfonyl)benzamide
CID 123184223
3-(azepan-1-ylsulfonyl)-N-(3-fluoro-4-methylphenyl)benzamide
CID 9119993
N-(4-bromo-3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2710113
3-[(1-ethylcyclopropyl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide
CID 90075245
N-(4-bromo-3-methylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2382518
N-(4-fluoro-3-methylphenyl)-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzamide
CID 90075200
N-(4-fluoro-3-methylphenyl)-3-(pyrrolidin-3-ylsulfamoyl)benzamide
CID 90044723
3-[(4-fluoro-3-methylphenyl)carbamoyl]benzoic acid
CID 62812413
N-(3-bromo-4-fluorophenyl)-3-[(3-methyloxetan-3-yl)methylsulfonyl]benzamide
CID 158482888
N-(4-bromo-3-methylphenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 41152859
N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]benzamide
CID 90075233
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide
CID 90075154

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)benzamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)benzamide (CID 90075165) is N-(4-fluoro-3-methylphenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)benzamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)benzamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)benzamide is Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CC4(COC4)C3)c2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)benzamide?
The InChIKey is WBKYGVMFCAYAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4S/c1-13-7-15(5-6-17(13)20)21-18(23)14-3-2-4-16(8-14)27(24,25)22-9-19(10-22)11-26-12-19/h2-8H,9-12H2,1H3,(H,21,23).
What are the key properties of N-(4-fluoro-3-methylphenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)benzamide?
N-(4-fluoro-3-methylphenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)benzamide has a molecular weight of 390.44 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)benzamide is sourced from PubChem (CID 90075165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).