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

C23H29N3O3S — CID 53183504

IUPACN-(2,4-dimethylphenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1ccc(NC(=O)C2CN(S(=O)(=O)c3cccnc3)CC23CCCCC3)c(C)c1
InChIInChI=1S/C23H29N3O3S/c1-17-8-9-21(18(2)13-17)25-22(27)20-15-26(16-23(20)10-4-3-5-11-23)30(28,29)19-7-6-12-24-14-19/h6-9,12-14,20H,3-5,10-11,15-16H2,1-2H3,(H,25,27)
InChIKeyRHLCSHSGPVTAEB-UHFFFAOYSA-N
MW427.57 g/mol
LogP3.91
Rot. Bonds4

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

N-(2,4-dimethylphenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 53183504) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID53183504
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC NameN-(2,4-dimethylphenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1ccc(NC(=O)C2CN(S(=O)(=O)c3cccnc3)CC23CCCCC3)c(C)c1
InChIInChI=1S/C23H29N3O3S/c1-17-8-9-21(18(2)13-17)25-22(27)20-15-26(16-23(20)10-4-3-5-11-23)30(28,29)19-7-6-12-24-14-19/h6-9,12-14,20H,3-5,10-11,15-16H2,1-2H3,(H,25,27)
InChIKeyRHLCSHSGPVTAEB-UHFFFAOYSA-N
XLogP3.91
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide (CID 53183504) is N-(2,4-dimethylphenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide is Cc1ccc(NC(=O)C2CN(S(=O)(=O)c3cccnc3)CC23CCCCC3)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is RHLCSHSGPVTAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-17-8-9-21(18(2)13-17)25-22(27)20-15-26(16-23(20)10-4-3-5-11-23)30(28,29)19-7-6-12-24-14-19/h6-9,12-14,20H,3-5,10-11,15-16H2,1-2H3,(H,25,27).
What are the key properties of N-(2,4-dimethylphenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
N-(2,4-dimethylphenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 427.57 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 53183504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).