N-[(2R)-6-azaspiro[2.5]octan-2-yl]-4-fluoro-N-(thiophen-3-ylmethyl)benzamide

C19H21FN2OS — CID 129465975

IUPACN-[(2R)-6-azaspiro[2.5]octan-2-yl]-4-fluoro-N-(thiophen-3-ylmethyl)benzamide
SMILESO=C(c1ccc(F)cc1)N(Cc1ccsc1)[C@@H]1CC12CCNCC2
InChIInChI=1S/C19H21FN2OS/c20-16-3-1-15(2-4-16)18(23)22(12-14-5-10-24-13-14)17-11-19(17)6-8-21-9-7-19/h1-5,10,13,17,21H,6-9,11-12H2/t17-/m1/s1
InChIKeyTYLFICYPGVYCHE-QGZVFWFLSA-N
MW344.45 g/mol
LogP3.67
Rot. Bonds4

About N-[(2R)-6-azaspiro[2.5]octan-2-yl]-4-fluoro-N-(thiophen-3-ylmethyl)benzamide

N-[(2R)-6-azaspiro[2.5]octan-2-yl]-4-fluoro-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 129465975) has the molecular formula C19H21FN2OS and a molecular weight of 344.45 g/mol. Its IUPAC name is N-[(2R)-6-azaspiro[2.5]octan-2-yl]-4-fluoro-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-6-azaspiro[2.5]octan-2-yl]-4-fluoro-N-(thiophen-3-ylmethyl)benzamide
PubChem CID129465975
Molecular FormulaC19H21FN2OS
Molecular Weight344.45 g/mol
Exact Mass344.14
IUPAC NameN-[(2R)-6-azaspiro[2.5]octan-2-yl]-4-fluoro-N-(thiophen-3-ylmethyl)benzamide
SMILESO=C(c1ccc(F)cc1)N(Cc1ccsc1)[C@@H]1CC12CCNCC2
InChIInChI=1S/C19H21FN2OS/c20-16-3-1-15(2-4-16)18(23)22(12-14-5-10-24-13-14)17-11-19(17)6-8-21-9-7-19/h1-5,10,13,17,21H,6-9,11-12H2/t17-/m1/s1
InChIKeyTYLFICYPGVYCHE-QGZVFWFLSA-N
XLogP3.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 129001221
N-[(2S)-6-azaspiro[2.5]octan-2-yl]-6-oxo-N-(thiophen-3-ylmethyl)-1H-pyridazine-3-carboxamide
CID 99778402
N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 129476775
N-(6-azaspiro[2.5]octan-2-yl)-4-chloro-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 128994657
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-4-chloro-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 129473894
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2,5-dimethyl-N-(thiophen-3-ylmethyl)furan-3-carboxamide
CID 129466841
N-[(2S)-6-azaspiro[2.5]octan-2-yl]-3-chloro-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 129466008
(2R)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-6-oxaspiro[2.5]octane-2-carboxamide
CID 129344233
N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)-1,3-benzodioxole-4-carboxamide
CID 128992627
(2S)-2-amino-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-phenyl-N-(thiophen-3-ylmethyl)acetamide
CID 129338999
cis-(1R,2S)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-cyclopropyl-N-(thiophen-3-ylmethyl)cyclopropane-1-carboxamide
CID 129465946
3-amino-N-(6-azaspiro[2.5]octan-2-yl)-3-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 128994548

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-6-azaspiro[2.5]octan-2-yl]-4-fluoro-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of N-[(2R)-6-azaspiro[2.5]octan-2-yl]-4-fluoro-N-(thiophen-3-ylmethyl)benzamide (CID 129465975) is N-[(2R)-6-azaspiro[2.5]octan-2-yl]-4-fluoro-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for N-[(2R)-6-azaspiro[2.5]octan-2-yl]-4-fluoro-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for N-[(2R)-6-azaspiro[2.5]octan-2-yl]-4-fluoro-N-(thiophen-3-ylmethyl)benzamide is O=C(c1ccc(F)cc1)N(Cc1ccsc1)[C@@H]1CC12CCNCC2.
What is the InChIKey of N-[(2R)-6-azaspiro[2.5]octan-2-yl]-4-fluoro-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is TYLFICYPGVYCHE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21FN2OS/c20-16-3-1-15(2-4-16)18(23)22(12-14-5-10-24-13-14)17-11-19(17)6-8-21-9-7-19/h1-5,10,13,17,21H,6-9,11-12H2/t17-/m1/s1.
What are the key properties of N-[(2R)-6-azaspiro[2.5]octan-2-yl]-4-fluoro-N-(thiophen-3-ylmethyl)benzamide?
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-4-fluoro-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 344.45 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-6-azaspiro[2.5]octan-2-yl]-4-fluoro-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 129465975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).