N-[(R)-phenyl(thiophen-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide

C20H24N2O2S — CID 125446395

IUPACN-[(R)-phenyl(thiophen-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESO=C(N[C@H](c1ccccc1)c1cccs1)N1CCOC2(CCCC2)C1
InChIInChI=1S/C20H24N2O2S/c23-19(22-12-13-24-20(15-22)10-4-5-11-20)21-18(17-9-6-14-25-17)16-7-2-1-3-8-16/h1-3,6-9,14,18H,4-5,10-13,15H2,(H,21,23)/t18-/m1/s1
InChIKeyQITBFTGQSBKSQD-GOSISDBHSA-N
MW356.49 g/mol
LogP4.19
Rot. Bonds3

About N-[(R)-phenyl(thiophen-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide

N-[(R)-phenyl(thiophen-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide (PubChem CID 125446395) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[(R)-phenyl(thiophen-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound NameN-[(R)-phenyl(thiophen-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
PubChem CID125446395
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-[(R)-phenyl(thiophen-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESO=C(N[C@H](c1ccccc1)c1cccs1)N1CCOC2(CCCC2)C1
InChIInChI=1S/C20H24N2O2S/c23-19(22-12-13-24-20(15-22)10-4-5-11-20)21-18(17-9-6-14-25-17)16-7-2-1-3-8-16/h1-3,6-9,14,18H,4-5,10-13,15H2,(H,21,23)/t18-/m1/s1
InChIKeyQITBFTGQSBKSQD-GOSISDBHSA-N
XLogP4.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-phenyl(thiophen-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The IUPAC name of N-[(R)-phenyl(thiophen-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide (CID 125446395) is N-[(R)-phenyl(thiophen-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for N-[(R)-phenyl(thiophen-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for N-[(R)-phenyl(thiophen-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide is O=C(N[C@H](c1ccccc1)c1cccs1)N1CCOC2(CCCC2)C1.
What is the InChIKey of N-[(R)-phenyl(thiophen-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The InChIKey is QITBFTGQSBKSQD-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N2O2S/c23-19(22-12-13-24-20(15-22)10-4-5-11-20)21-18(17-9-6-14-25-17)16-7-2-1-3-8-16/h1-3,6-9,14,18H,4-5,10-13,15H2,(H,21,23)/t18-/m1/s1.
What are the key properties of N-[(R)-phenyl(thiophen-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
N-[(R)-phenyl(thiophen-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-phenyl(thiophen-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 125446395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).