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

C22H27N3O4S — CID 53183501

IUPACN-(4-methoxyphenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CN(S(=O)(=O)c3cccnc3)CC23CCCCC3)cc1
InChIInChI=1S/C22H27N3O4S/c1-29-18-9-7-17(8-10-18)24-21(26)20-15-25(16-22(20)11-3-2-4-12-22)30(27,28)19-6-5-13-23-14-19/h5-10,13-14,20H,2-4,11-12,15-16H2,1H3,(H,24,26)
InChIKeyPWPZQQYOYQEGPG-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.30
Rot. Bonds5

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

N-(4-methoxyphenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 53183501) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID53183501
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC NameN-(4-methoxyphenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CN(S(=O)(=O)c3cccnc3)CC23CCCCC3)cc1
InChIInChI=1S/C22H27N3O4S/c1-29-18-9-7-17(8-10-18)24-21(26)20-15-25(16-22(20)11-3-2-4-12-22)30(27,28)19-6-5-13-23-14-19/h5-10,13-14,20H,2-4,11-12,15-16H2,1H3,(H,24,26)
InChIKeyPWPZQQYOYQEGPG-UHFFFAOYSA-N
XLogP3.30
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide (CID 53183501) is N-(4-methoxyphenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide is COc1ccc(NC(=O)C2CN(S(=O)(=O)c3cccnc3)CC23CCCCC3)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is PWPZQQYOYQEGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-29-18-9-7-17(8-10-18)24-21(26)20-15-25(16-22(20)11-3-2-4-12-22)30(27,28)19-6-5-13-23-14-19/h5-10,13-14,20H,2-4,11-12,15-16H2,1H3,(H,24,26).
What are the key properties of N-(4-methoxyphenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
N-(4-methoxyphenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 429.54 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 53183501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).