N-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide

C23H29N3O4S — CID 53183508

IUPACN-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CN(S(=O)(=O)c3cccnc3)CC23CCCCC3)cc1
InChIInChI=1S/C23H29N3O4S/c1-30-19-9-7-18(8-10-19)14-25-22(27)21-16-26(17-23(21)11-3-2-4-12-23)31(28,29)20-6-5-13-24-15-20/h5-10,13,15,21H,2-4,11-12,14,16-17H2,1H3,(H,25,27)
InChIKeyGLZLJZPNKSNZTM-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.98
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide

N-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 53183508) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID53183508
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CN(S(=O)(=O)c3cccnc3)CC23CCCCC3)cc1
InChIInChI=1S/C23H29N3O4S/c1-30-19-9-7-18(8-10-19)14-25-22(27)21-16-26(17-23(21)11-3-2-4-12-23)31(28,29)20-6-5-13-24-15-20/h5-10,13,15,21H,2-4,11-12,14,16-17H2,1H3,(H,25,27)
InChIKeyGLZLJZPNKSNZTM-UHFFFAOYSA-N
XLogP2.98
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide (CID 53183508) is N-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide is COc1ccc(CNC(=O)C2CN(S(=O)(=O)c3cccnc3)CC23CCCCC3)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is GLZLJZPNKSNZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-30-19-9-7-18(8-10-19)14-25-22(27)21-16-26(17-23(21)11-3-2-4-12-23)31(28,29)20-6-5-13-24-15-20/h5-10,13,15,21H,2-4,11-12,14,16-17H2,1H3,(H,25,27).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 443.57 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 53183508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).