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

C23H29N3O4S — CID 95105868

IUPAC(4R)-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@H]1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2
InChIInChI=1S/C23H29N3O4S/c1-30-21-10-4-3-8-18(21)14-25-22(27)20-16-26(17-23(20)11-5-2-6-12-23)31(28,29)19-9-7-13-24-15-19/h3-4,7-10,13,15,20H,2,5-6,11-12,14,16-17H2,1H3,(H,25,27)/t20-/m1/s1
InChIKeyMBAIFSATDGHSQV-HXUWFJFHSA-N
MW443.57 g/mol
LogP2.98
Rot. Bonds6

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

(4R)-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 95105868) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is (4R)-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID95105868
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name(4R)-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@H]1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2
InChIInChI=1S/C23H29N3O4S/c1-30-21-10-4-3-8-18(21)14-25-22(27)20-16-26(17-23(20)11-5-2-6-12-23)31(28,29)19-9-7-13-24-15-19/h3-4,7-10,13,15,20H,2,5-6,11-12,14,16-17H2,1H3,(H,25,27)/t20-/m1/s1
InChIKeyMBAIFSATDGHSQV-HXUWFJFHSA-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 (4R)-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of (4R)-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide (CID 95105868) is (4R)-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for (4R)-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for (4R)-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide is COc1ccccc1CNC(=O)[C@H]1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2.
What is the InChIKey of (4R)-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is MBAIFSATDGHSQV-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-30-21-10-4-3-8-18(21)14-25-22(27)20-16-26(17-23(20)11-5-2-6-12-23)31(28,29)19-9-7-13-24-15-19/h3-4,7-10,13,15,20H,2,5-6,11-12,14,16-17H2,1H3,(H,25,27)/t20-/m1/s1.
What are the key properties of (4R)-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
(4R)-N-[(2-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 (4R)-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 95105868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).