N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide

C24H30FN3O5S — CID 17223739

IUPACN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2CCN(C(=O)c3cccc(F)c3)CC2)c1
InChIInChI=1S/C24H30FN3O5S/c1-4-28(5-2)34(31,32)20-9-10-22(33-3)21(16-20)26-23(29)17-11-13-27(14-12-17)24(30)18-7-6-8-19(25)15-18/h6-10,15-17H,4-5,11-14H2,1-3H3,(H,26,29)
InChIKeyPSOXLSYPKGKYMQ-UHFFFAOYSA-N
MW491.59 g/mol
LogP3.36
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide (PubChem CID 17223739) has the molecular formula C24H30FN3O5S and a molecular weight of 491.59 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
PubChem CID17223739
Molecular FormulaC24H30FN3O5S
Molecular Weight491.59 g/mol
Exact Mass491.19
IUPAC NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2CCN(C(=O)c3cccc(F)c3)CC2)c1
InChIInChI=1S/C24H30FN3O5S/c1-4-28(5-2)34(31,32)20-9-10-22(33-3)21(16-20)26-23(29)17-11-13-27(14-12-17)24(30)18-7-6-8-19(25)15-18/h6-10,15-17H,4-5,11-14H2,1-3H3,(H,26,29)
InChIKeyPSOXLSYPKGKYMQ-UHFFFAOYSA-N
XLogP3.36
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(dipropylsulfamoyl)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223755
1-(3-fluorobenzoyl)-N-(2-methoxy-4-nitrophenyl)piperidine-4-carboxamide
CID 17223700
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223813
N-(2-methoxy-5-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113007595
N-[5-[[4-(diethylsulfamoyl)benzoyl]amino]-2-methoxyphenyl]-3-fluorobenzamide
CID 46487202
N-[4-(diethylamino)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 113008104
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzamide
CID 26901213
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550
1-(3-fluorobenzoyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 17223695
1-(3-fluorobenzoyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide
CID 17223630
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 30747930
1-(3-fluorobenzoyl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 17223719

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide (CID 17223739) is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2CCN(C(=O)c3cccc(F)c3)CC2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is PSOXLSYPKGKYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O5S/c1-4-28(5-2)34(31,32)20-9-10-22(33-3)21(16-20)26-23(29)17-11-13-27(14-12-17)24(30)18-7-6-8-19(25)15-18/h6-10,15-17H,4-5,11-14H2,1-3H3,(H,26,29).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide?
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 491.59 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 17223739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).