N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2,5-dimethyl-N-(thiophen-3-ylmethyl)furan-3-carboxamide

C19H24N2O2S — CID 129466841

IUPACN-[(2R)-6-azaspiro[2.5]octan-2-yl]-2,5-dimethyl-N-(thiophen-3-ylmethyl)furan-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccsc2)[C@@H]2CC23CCNCC3)c(C)o1
InChIInChI=1S/C19H24N2O2S/c1-13-9-16(14(2)23-13)18(22)21(11-15-3-8-24-12-15)17-10-19(17)4-6-20-7-5-19/h3,8-9,12,17,20H,4-7,10-11H2,1-2H3/t17-/m1/s1
InChIKeyYBKMMRNXKPZZEZ-QGZVFWFLSA-N
MW344.48 g/mol
LogP3.74
Rot. Bonds4

About N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2,5-dimethyl-N-(thiophen-3-ylmethyl)furan-3-carboxamide

N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2,5-dimethyl-N-(thiophen-3-ylmethyl)furan-3-carboxamide (PubChem CID 129466841) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2,5-dimethyl-N-(thiophen-3-ylmethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-6-azaspiro[2.5]octan-2-yl]-2,5-dimethyl-N-(thiophen-3-ylmethyl)furan-3-carboxamide
PubChem CID129466841
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-[(2R)-6-azaspiro[2.5]octan-2-yl]-2,5-dimethyl-N-(thiophen-3-ylmethyl)furan-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccsc2)[C@@H]2CC23CCNCC3)c(C)o1
InChIInChI=1S/C19H24N2O2S/c1-13-9-16(14(2)23-13)18(22)21(11-15-3-8-24-12-15)17-10-19(17)4-6-20-7-5-19/h3,8-9,12,17,20H,4-7,10-11H2,1-2H3/t17-/m1/s1
InChIKeyYBKMMRNXKPZZEZ-QGZVFWFLSA-N
XLogP3.74
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2,5-dimethyl-N-(thiophen-3-ylmethyl)furan-3-carboxamide?
The IUPAC name of N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2,5-dimethyl-N-(thiophen-3-ylmethyl)furan-3-carboxamide (CID 129466841) is N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2,5-dimethyl-N-(thiophen-3-ylmethyl)furan-3-carboxamide.
What is the SMILES notation for N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2,5-dimethyl-N-(thiophen-3-ylmethyl)furan-3-carboxamide?
The canonical SMILES for N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2,5-dimethyl-N-(thiophen-3-ylmethyl)furan-3-carboxamide is Cc1cc(C(=O)N(Cc2ccsc2)[C@@H]2CC23CCNCC3)c(C)o1.
What is the InChIKey of N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2,5-dimethyl-N-(thiophen-3-ylmethyl)furan-3-carboxamide?
The InChIKey is YBKMMRNXKPZZEZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-13-9-16(14(2)23-13)18(22)21(11-15-3-8-24-12-15)17-10-19(17)4-6-20-7-5-19/h3,8-9,12,17,20H,4-7,10-11H2,1-2H3/t17-/m1/s1.
What are the key properties of N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2,5-dimethyl-N-(thiophen-3-ylmethyl)furan-3-carboxamide?
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2,5-dimethyl-N-(thiophen-3-ylmethyl)furan-3-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 3.74, 4 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]-2,5-dimethyl-N-(thiophen-3-ylmethyl)furan-3-carboxamide is sourced from PubChem (CID 129466841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).