N-(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)-4-(thiomorpholin-4-ylmethyl)benzamide

C19H24F2N2OS — CID 166244803

IUPACN-(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)-4-(thiomorpholin-4-ylmethyl)benzamide
SMILESO=C(NC1CCC2C(C1)C2(F)F)c1ccc(CN2CCSCC2)cc1
InChIInChI=1S/C19H24F2N2OS/c20-19(21)16-6-5-15(11-17(16)19)22-18(24)14-3-1-13(2-4-14)12-23-7-9-25-10-8-23/h1-4,15-17H,5-12H2,(H,22,24)
InChIKeyZXCGIVNMTFQJQS-UHFFFAOYSA-N
MW366.48 g/mol
LogP3.40
Rot. Bonds4

About N-(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)-4-(thiomorpholin-4-ylmethyl)benzamide

N-(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)-4-(thiomorpholin-4-ylmethyl)benzamide (PubChem CID 166244803) has the molecular formula C19H24F2N2OS and a molecular weight of 366.48 g/mol. Its IUPAC name is N-(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)-4-(thiomorpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)-4-(thiomorpholin-4-ylmethyl)benzamide
PubChem CID166244803
Molecular FormulaC19H24F2N2OS
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC NameN-(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)-4-(thiomorpholin-4-ylmethyl)benzamide
SMILESO=C(NC1CCC2C(C1)C2(F)F)c1ccc(CN2CCSCC2)cc1
InChIInChI=1S/C19H24F2N2OS/c20-19(21)16-6-5-15(11-17(16)19)22-18(24)14-3-1-13(2-4-14)12-23-7-9-25-10-8-23/h1-4,15-17H,5-12H2,(H,22,24)
InChIKeyZXCGIVNMTFQJQS-UHFFFAOYSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)-4-(thiomorpholin-4-ylmethyl)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

4-(thiomorpholin-4-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]benzamide
CID 166194791
N-cyclopropyl-4-(piperidin-1-ylmethyl)benzamide
CID 17407709
N-[(1R,3R)-3-aminocyclopentyl]-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide
CID 56751740
(2S,4S)-4-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]thiolane-2-carboxylic acid
CID 166284837
methyl 4-(thiomorpholin-4-ylmethyl)benzoate
CID 10106210
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 10134420
(2-chlorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24724527
(3,5-dimethylphenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24724523
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55959674
N-(6-oxaspiro[3.4]octan-2-yl)-4-(pyrrolidin-1-ylmethyl)benzamide
CID 167800012

Frequently Asked Questions

What is the IUPAC name of N-(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)-4-(thiomorpholin-4-ylmethyl)benzamide?
The IUPAC name of N-(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)-4-(thiomorpholin-4-ylmethyl)benzamide (CID 166244803) is N-(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)-4-(thiomorpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)-4-(thiomorpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)-4-(thiomorpholin-4-ylmethyl)benzamide is O=C(NC1CCC2C(C1)C2(F)F)c1ccc(CN2CCSCC2)cc1.
What is the InChIKey of N-(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)-4-(thiomorpholin-4-ylmethyl)benzamide?
The InChIKey is ZXCGIVNMTFQJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2OS/c20-19(21)16-6-5-15(11-17(16)19)22-18(24)14-3-1-13(2-4-14)12-23-7-9-25-10-8-23/h1-4,15-17H,5-12H2,(H,22,24).
What are the key properties of N-(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)-4-(thiomorpholin-4-ylmethyl)benzamide?
N-(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)-4-(thiomorpholin-4-ylmethyl)benzamide has a molecular weight of 366.48 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)-4-(thiomorpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 166244803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).