N-(azetidin-1-ylsulfanyl)-5-cyclopropyl-2-fluoro-4-(piperidin-1-ylmethyl)benzamide

C19H26FN3OS — CID 144850051

IUPACN-(azetidin-1-ylsulfanyl)-5-cyclopropyl-2-fluoro-4-(piperidin-1-ylmethyl)benzamide
SMILESO=C(NSN1CCC1)c1cc(C2CC2)c(CN2CCCCC2)cc1F
InChIInChI=1S/C19H26FN3OS/c20-18-11-15(13-22-7-2-1-3-8-22)16(14-5-6-14)12-17(18)19(24)21-25-23-9-4-10-23/h11-12,14H,1-10,13H2,(H,21,24)
InChIKeyWQSTVEHSKLHHPJ-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.69
Rot. Bonds6

About N-(azetidin-1-ylsulfanyl)-5-cyclopropyl-2-fluoro-4-(piperidin-1-ylmethyl)benzamide

N-(azetidin-1-ylsulfanyl)-5-cyclopropyl-2-fluoro-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 144850051) has the molecular formula C19H26FN3OS and a molecular weight of 363.50 g/mol. Its IUPAC name is N-(azetidin-1-ylsulfanyl)-5-cyclopropyl-2-fluoro-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(azetidin-1-ylsulfanyl)-5-cyclopropyl-2-fluoro-4-(piperidin-1-ylmethyl)benzamide
PubChem CID144850051
Molecular FormulaC19H26FN3OS
Molecular Weight363.50 g/mol
Exact Mass363.18
IUPAC NameN-(azetidin-1-ylsulfanyl)-5-cyclopropyl-2-fluoro-4-(piperidin-1-ylmethyl)benzamide
SMILESO=C(NSN1CCC1)c1cc(C2CC2)c(CN2CCCCC2)cc1F
InChIInChI=1S/C19H26FN3OS/c20-18-11-15(13-22-7-2-1-3-8-22)16(14-5-6-14)12-17(18)19(24)21-25-23-9-4-10-23/h11-12,14H,1-10,13H2,(H,21,24)
InChIKeyWQSTVEHSKLHHPJ-UHFFFAOYSA-N
XLogP3.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(azetidin-1-ylsulfanyl)-4-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluorobenzamide
CID 144849866
N-(azetidin-1-ylsulfanyl)-4-[[1-[(2-chloro-4-cyclopropylphenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzamide;4-[[1-[(2-chloro-4-cyclopropylphenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfanyl-2-fluorobenzamide;chloromethane;ethane
CID 144850714
4-[[4-[(3-chloro-5-cyclopropyl-2-pyridinyl)oxy]piperidin-1-yl]methyl]-5-cyclopropyl-N-cyclopropylsulfanyl-2-fluorobenzamide
CID 144850388
5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperidin-1-yl]methyl]-2-fluoro-N-methylsulfonylbenzamide
CID 118353569
acetic acid;N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-4-[[4-(3,5-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzamide
CID 162329191
1-[(2-chloro-4-fluorophenyl)methyl]piperidine;5-cyclopropyl-2-fluoro-4-hydroxybenzoic acid
CID 145194200
N-(azetidin-1-ylsulfanyl)-5-cyclopropyl-4-[[1-[1-(3,5-dichlorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-2-fluorobenzamide
CID 144850421
5-cyclopropyl-N-cyclopropylsulfonyl-4-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-2-fluorobenzamide
CID 137432454
5-cyclopropyl-4-[[4-(3,5-dichlorophenoxy)sulfonylpiperazin-1-yl]methyl]-2-fluorobenzoic acid
CID 146462015
5-cyclopropyl-N-cyclopropylsulfonyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-fluorobenzamide;2,2,2-trifluoroacetic acid
CID 118110586
5-cyclopropyl-2-fluoro-4-[[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]benzoic acid;2,2,2-trifluoroacetic acid
CID 174984705
5-cyclopropyl-N-cyclopropylsulfanyl-4-[(3R)-1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]oxy-2-fluorobenzamide
CID 144849875

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-1-ylsulfanyl)-5-cyclopropyl-2-fluoro-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-(azetidin-1-ylsulfanyl)-5-cyclopropyl-2-fluoro-4-(piperidin-1-ylmethyl)benzamide (CID 144850051) is N-(azetidin-1-ylsulfanyl)-5-cyclopropyl-2-fluoro-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-(azetidin-1-ylsulfanyl)-5-cyclopropyl-2-fluoro-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-(azetidin-1-ylsulfanyl)-5-cyclopropyl-2-fluoro-4-(piperidin-1-ylmethyl)benzamide is O=C(NSN1CCC1)c1cc(C2CC2)c(CN2CCCCC2)cc1F.
What is the InChIKey of N-(azetidin-1-ylsulfanyl)-5-cyclopropyl-2-fluoro-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is WQSTVEHSKLHHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3OS/c20-18-11-15(13-22-7-2-1-3-8-22)16(14-5-6-14)12-17(18)19(24)21-25-23-9-4-10-23/h11-12,14H,1-10,13H2,(H,21,24).
What are the key properties of N-(azetidin-1-ylsulfanyl)-5-cyclopropyl-2-fluoro-4-(piperidin-1-ylmethyl)benzamide?
N-(azetidin-1-ylsulfanyl)-5-cyclopropyl-2-fluoro-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 363.50 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-1-ylsulfanyl)-5-cyclopropyl-2-fluoro-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 144850051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).