N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(prop-2-enylsulfamoyl)benzamide

C24H31N3O4S — CID 43006606

IUPACN-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)NCC(c2ccc(OC)cc2)N2CCCCC2)c1
InChIInChI=1S/C24H31N3O4S/c1-3-14-26-32(29,30)22-9-7-8-20(17-22)24(28)25-18-23(27-15-5-4-6-16-27)19-10-12-21(31-2)13-11-19/h3,7-13,17,23,26H,1,4-6,14-16,18H2,2H3,(H,25,28)
InChIKeyVLEFLXDIMYJYGB-UHFFFAOYSA-N
MW457.60 g/mol
LogP3.12
Rot. Bonds10

About N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(prop-2-enylsulfamoyl)benzamide

N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 43006606) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID43006606
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC NameN-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)NCC(c2ccc(OC)cc2)N2CCCCC2)c1
InChIInChI=1S/C24H31N3O4S/c1-3-14-26-32(29,30)22-9-7-8-20(17-22)24(28)25-18-23(27-15-5-4-6-16-27)19-10-12-21(31-2)13-11-19/h3,7-13,17,23,26H,1,4-6,14-16,18H2,2H3,(H,25,28)
InChIKeyVLEFLXDIMYJYGB-UHFFFAOYSA-N
XLogP3.12
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(azepan-1-ylsulfonyl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 25350857
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 55347694
3-[(4-fluorophenyl)sulfamoyl]-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 27771815
3-fluoro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 2521454
3-(ethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 55462512
3-(dimethylsulfamoyl)-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 24544194
3-(carbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 78815862
3-(dimethylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 2997566
4-(2-methoxyethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 42929558
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-pyrrol-1-ylbenzamide
CID 25340437
3-fluoro-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 78784235
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35133193

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(prop-2-enylsulfamoyl)benzamide (CID 43006606) is N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cccc(C(=O)NCC(c2ccc(OC)cc2)N2CCCCC2)c1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is VLEFLXDIMYJYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-3-14-26-32(29,30)22-9-7-8-20(17-22)24(28)25-18-23(27-15-5-4-6-16-27)19-10-12-21(31-2)13-11-19/h3,7-13,17,23,26H,1,4-6,14-16,18H2,2H3,(H,25,28).
What are the key properties of N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(prop-2-enylsulfamoyl)benzamide?
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 457.60 g/mol, XLogP of 3.12, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 43006606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).