N-[(2-methoxyphenyl)methyl]-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide

C23H28N2O3S — CID 53184659

IUPACN-[(2-methoxyphenyl)methyl]-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CN(C(=O)c2cccs2)CC12CCCCC2
InChIInChI=1S/C23H28N2O3S/c1-28-19-9-4-3-8-17(19)14-24-21(26)18-15-25(22(27)20-10-7-13-29-20)16-23(18)11-5-2-6-12-23/h3-4,7-10,13,18H,2,5-6,11-12,14-16H2,1H3,(H,24,26)
InChIKeyUEMUOTHPHIURDA-UHFFFAOYSA-N
MW412.56 g/mol
LogP4.10
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide

N-[(2-methoxyphenyl)methyl]-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 53184659) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID53184659
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CN(C(=O)c2cccs2)CC12CCCCC2
InChIInChI=1S/C23H28N2O3S/c1-28-19-9-4-3-8-17(19)14-24-21(26)18-15-25(22(27)20-10-7-13-29-20)16-23(18)11-5-2-6-12-23/h3-4,7-10,13,18H,2,5-6,11-12,14-16H2,1H3,(H,24,26)
InChIKeyUEMUOTHPHIURDA-UHFFFAOYSA-N
XLogP4.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide (CID 53184659) is N-[(2-methoxyphenyl)methyl]-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide is COc1ccccc1CNC(=O)C1CN(C(=O)c2cccs2)CC12CCCCC2.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is UEMUOTHPHIURDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3S/c1-28-19-9-4-3-8-17(19)14-24-21(26)18-15-25(22(27)20-10-7-13-29-20)16-23(18)11-5-2-6-12-23/h3-4,7-10,13,18H,2,5-6,11-12,14-16H2,1H3,(H,24,26).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
N-[(2-methoxyphenyl)methyl]-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 412.56 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 53184659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).