N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide

C21H26N2O2S — CID 129475653

IUPACN-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide
SMILESCOc1ccccc1CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCNCC2
InChIInChI=1S/C21H26N2O2S/c1-25-18-5-3-2-4-17(18)12-20(24)23(14-16-6-11-26-15-16)19-13-21(19)7-9-22-10-8-21/h2-6,11,15,19,22H,7-10,12-14H2,1H3/t19-/m1/s1
InChIKeyLJWZQDYSCRXNJD-LJQANCHMSA-N
MW370.52 g/mol
LogP3.47
Rot. Bonds6

About N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide

N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 129475653) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide
PubChem CID129475653
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC NameN-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide
SMILESCOc1ccccc1CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCNCC2
InChIInChI=1S/C21H26N2O2S/c1-25-18-5-3-2-4-17(18)12-20(24)23(14-16-6-11-26-15-16)19-13-21(19)7-9-22-10-8-21/h2-6,11,15,19,22H,7-10,12-14H2,1H3/t19-/m1/s1
InChIKeyLJWZQDYSCRXNJD-LJQANCHMSA-N
XLogP3.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-phenyl-N-(thiophen-3-ylmethyl)acetamide
CID 129338999
3-amino-N-(6-azaspiro[2.5]octan-2-yl)-3-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 128994548
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-4-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 129465975
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-3-pyridin-2-yl-N-(thiophen-3-ylmethyl)propanamide
CID 129466575
N-(6-azaspiro[2.5]octan-2-yl)-3-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide
CID 128993528
N-(6-azaspiro[2.5]octan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 129008141
(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
cis-(1R,2S)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-cyclopropyl-N-(thiophen-3-ylmethyl)cyclopropane-1-carboxamide
CID 129465946
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2,5-dimethyl-N-(thiophen-3-ylmethyl)furan-3-carboxamide
CID 129466841
N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 129001221
N-(6-azaspiro[2.5]octan-2-yl)-4-chloro-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 128994657

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide (CID 129475653) is N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide is COc1ccccc1CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCNCC2.
What is the InChIKey of N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is LJWZQDYSCRXNJD-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-25-18-5-3-2-4-17(18)12-20(24)23(14-16-6-11-26-15-16)19-13-21(19)7-9-22-10-8-21/h2-6,11,15,19,22H,7-10,12-14H2,1H3/t19-/m1/s1.
What are the key properties of N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide?
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 370.52 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 129475653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).