N-[[4-(dimethylamino)phenyl]methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide

C25H35N3O3S — CID 26443164

IUPACN-[[4-(dimethylamino)phenyl]methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccc(N(C)C)cc3)CC2)c1C
InChIInChI=1S/C25H35N3O3S/c1-17-15-18(2)20(4)24(19(17)3)32(30,31)28-13-11-22(12-14-28)25(29)26-16-21-7-9-23(10-8-21)27(5)6/h7-10,15,22H,11-14,16H2,1-6H3,(H,26,29)
InChIKeySSBAHJLYODTLEJ-UHFFFAOYSA-N
MW457.64 g/mol
LogP3.70
Rot. Bonds6

About N-[[4-(dimethylamino)phenyl]methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide

N-[[4-(dimethylamino)phenyl]methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 26443164) has the molecular formula C25H35N3O3S and a molecular weight of 457.64 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID26443164
Molecular FormulaC25H35N3O3S
Molecular Weight457.64 g/mol
Exact Mass457.24
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccc(N(C)C)cc3)CC2)c1C
InChIInChI=1S/C25H35N3O3S/c1-17-15-18(2)20(4)24(19(17)3)32(30,31)28-13-11-22(12-14-28)25(29)26-16-21-7-9-23(10-8-21)27(5)6/h7-10,15,22H,11-14,16H2,1-6H3,(H,26,29)
InChIKeySSBAHJLYODTLEJ-UHFFFAOYSA-N
XLogP3.70
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.64
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 46590373
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 28561956
N-(3-aminopropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119405340
N-[3-(methylamino)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119430053
N-[2-(ethylamino)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119505200
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 46422068
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 36917432
N-[(4-propan-2-yloxyphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55588225
N-(3-ethoxypropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 27680479
N-(2-pyridin-3-ylethyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 39560041
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55585448
N-[[4-(diethylamino)phenyl]methyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide
CID 73253676

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide (CID 26443164) is N-[[4-(dimethylamino)phenyl]methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccc(N(C)C)cc3)CC2)c1C.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is SSBAHJLYODTLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3S/c1-17-15-18(2)20(4)24(19(17)3)32(30,31)28-13-11-22(12-14-28)25(29)26-16-21-7-9-23(10-8-21)27(5)6/h7-10,15,22H,11-14,16H2,1-6H3,(H,26,29).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 457.64 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 26443164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).