N-[5-(4-methoxy-3-methylphenyl)sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide

C19H26N2O4S — CID 89238067

IUPACN-[5-(4-methoxy-3-methylphenyl)sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(C)c2)C2(CCC2)C1
InChIInChI=1S/C19H26N2O4S/c1-4-18(22)20-15-8-11-21(19(13-15)9-5-10-19)26(23,24)16-6-7-17(25-3)14(2)12-16/h4,6-7,12,15H,1,5,8-11,13H2,2-3H3,(H,20,22)
InChIKeyBTFSGEVLMIQAOP-UHFFFAOYSA-N
MW378.49 g/mol
LogP2.38
Rot. Bonds5

About N-[5-(4-methoxy-3-methylphenyl)sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide

N-[5-(4-methoxy-3-methylphenyl)sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide (PubChem CID 89238067) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is N-[5-(4-methoxy-3-methylphenyl)sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-(4-methoxy-3-methylphenyl)sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide
PubChem CID89238067
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC NameN-[5-(4-methoxy-3-methylphenyl)sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(C)c2)C2(CCC2)C1
InChIInChI=1S/C19H26N2O4S/c1-4-18(22)20-15-8-11-21(19(13-15)9-5-10-19)26(23,24)16-6-7-17(25-3)14(2)12-16/h4,6-7,12,15H,1,5,8-11,13H2,2-3H3,(H,20,22)
InChIKeyBTFSGEVLMIQAOP-UHFFFAOYSA-N
XLogP2.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-methoxy-3-methylphenyl)sulfonylazepan-3-yl]prop-2-enamide
CID 89238663
N-[5-(1,3-benzothiazol-6-ylsulfonyl)-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide
CID 89239101
N-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide
CID 89238356
N-[1-(4-methoxy-3-methylphenyl)sulfonyl-3,3,5,5-tetramethylpiperidin-4-yl]prop-2-enamide
CID 89239316
N-[5-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide
CID 89236161
N-cycloheptyl-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 2979454
N-[(3S)-1-(3-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]prop-2-enamide
CID 89237996
1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 972845
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 71449440
1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine
CID 28804121
[1-(4-methoxy-3-methylphenyl)sulfonylazepan-2-yl]methanol
CID 116636629
N-[1-(7-methoxy-1-methylindol-3-yl)sulfonylpiperidin-4-yl]prop-2-enamide
CID 176668321

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxy-3-methylphenyl)sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide?
The IUPAC name of N-[5-(4-methoxy-3-methylphenyl)sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide (CID 89238067) is N-[5-(4-methoxy-3-methylphenyl)sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide.
What is the SMILES notation for N-[5-(4-methoxy-3-methylphenyl)sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide?
The canonical SMILES for N-[5-(4-methoxy-3-methylphenyl)sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide is C=CC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(C)c2)C2(CCC2)C1.
What is the InChIKey of N-[5-(4-methoxy-3-methylphenyl)sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide?
The InChIKey is BTFSGEVLMIQAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-4-18(22)20-15-8-11-21(19(13-15)9-5-10-19)26(23,24)16-6-7-17(25-3)14(2)12-16/h4,6-7,12,15H,1,5,8-11,13H2,2-3H3,(H,20,22).
What are the key properties of N-[5-(4-methoxy-3-methylphenyl)sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide?
N-[5-(4-methoxy-3-methylphenyl)sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide has a molecular weight of 378.49 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxy-3-methylphenyl)sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide is sourced from PubChem (CID 89238067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).