(4R)-2-cyclopropylsulfonyl-N-(4-methoxyphenyl)-2-azaspiro[4.5]decane-4-carboxamide

C20H28N2O4S — CID 95105764

IUPAC(4R)-2-cyclopropylsulfonyl-N-(4-methoxyphenyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CN(S(=O)(=O)C3CC3)CC23CCCCC3)cc1
InChIInChI=1S/C20H28N2O4S/c1-26-16-7-5-15(6-8-16)21-19(23)18-13-22(27(24,25)17-9-10-17)14-20(18)11-3-2-4-12-20/h5-8,17-18H,2-4,9-14H2,1H3,(H,21,23)/t18-/m1/s1
InChIKeyGZJMNAVXFQNORZ-GOSISDBHSA-N
MW392.52 g/mol
LogP3.01
Rot. Bonds5

About (4R)-2-cyclopropylsulfonyl-N-(4-methoxyphenyl)-2-azaspiro[4.5]decane-4-carboxamide

(4R)-2-cyclopropylsulfonyl-N-(4-methoxyphenyl)-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 95105764) has the molecular formula C20H28N2O4S and a molecular weight of 392.52 g/mol. Its IUPAC name is (4R)-2-cyclopropylsulfonyl-N-(4-methoxyphenyl)-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-cyclopropylsulfonyl-N-(4-methoxyphenyl)-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID95105764
Molecular FormulaC20H28N2O4S
Molecular Weight392.52 g/mol
Exact Mass392.18
IUPAC Name(4R)-2-cyclopropylsulfonyl-N-(4-methoxyphenyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CN(S(=O)(=O)C3CC3)CC23CCCCC3)cc1
InChIInChI=1S/C20H28N2O4S/c1-26-16-7-5-15(6-8-16)21-19(23)18-13-22(27(24,25)17-9-10-17)14-20(18)11-3-2-4-12-20/h5-8,17-18H,2-4,9-14H2,1H3,(H,21,23)/t18-/m1/s1
InChIKeyGZJMNAVXFQNORZ-GOSISDBHSA-N
XLogP3.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-2-cyclopropylsulfonyl-N-(4-methoxyphenyl)-2-azaspiro[4.5]decane-4-carboxamide with MolForge

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Related Compounds

N-(4-methoxyphenyl)spiro[2.3]hexane-2-carboxamide
CID 3967307
(4R)-N-benzyl-2-cyclopropylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 95105804
N-cyclohexyl-2-(4-methoxyphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912689
(4S)-2-cyclopropylsulfonyl-N-[(3-fluorophenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide
CID 129369274
trans-(1S,3R)-3-[(4-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 774564
N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide
CID 112987504
N-(4-acetamidophenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide
CID 90513573
(1S,2R,4R,5S)-N-(4-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98237630
methyl 4-[[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate
CID 41301922
1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 2991035
(3S)-N-(4-acetamidophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081635
(3S)-1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 1081613

Frequently Asked Questions

What is the IUPAC name of (4R)-2-cyclopropylsulfonyl-N-(4-methoxyphenyl)-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of (4R)-2-cyclopropylsulfonyl-N-(4-methoxyphenyl)-2-azaspiro[4.5]decane-4-carboxamide (CID 95105764) is (4R)-2-cyclopropylsulfonyl-N-(4-methoxyphenyl)-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for (4R)-2-cyclopropylsulfonyl-N-(4-methoxyphenyl)-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for (4R)-2-cyclopropylsulfonyl-N-(4-methoxyphenyl)-2-azaspiro[4.5]decane-4-carboxamide is COc1ccc(NC(=O)[C@H]2CN(S(=O)(=O)C3CC3)CC23CCCCC3)cc1.
What is the InChIKey of (4R)-2-cyclopropylsulfonyl-N-(4-methoxyphenyl)-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is GZJMNAVXFQNORZ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H28N2O4S/c1-26-16-7-5-15(6-8-16)21-19(23)18-13-22(27(24,25)17-9-10-17)14-20(18)11-3-2-4-12-20/h5-8,17-18H,2-4,9-14H2,1H3,(H,21,23)/t18-/m1/s1.
What are the key properties of (4R)-2-cyclopropylsulfonyl-N-(4-methoxyphenyl)-2-azaspiro[4.5]decane-4-carboxamide?
(4R)-2-cyclopropylsulfonyl-N-(4-methoxyphenyl)-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 392.52 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-cyclopropylsulfonyl-N-(4-methoxyphenyl)-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 95105764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).