N-(2-phenylethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

C23H30N2O3S — CID 21372906

IUPACN-(2-phenylethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCCc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C23H30N2O3S/c1-17-15-18(2)22(19(3)16-17)29(27,28)25-13-10-21(11-14-25)23(26)24-12-9-20-7-5-4-6-8-20/h4-8,15-16,21H,9-14H2,1-3H3,(H,24,26)
InChIKeyFTGIVFWKWJEKAE-UHFFFAOYSA-N
MW414.57 g/mol
LogP3.37
Rot. Bonds6

About N-(2-phenylethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

N-(2-phenylethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 21372906) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is N-(2-phenylethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID21372906
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC NameN-(2-phenylethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCCc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C23H30N2O3S/c1-17-15-18(2)22(19(3)16-17)29(27,28)25-13-10-21(11-14-25)23(26)24-12-9-20-7-5-4-6-8-20/h4-8,15-16,21H,9-14H2,1-3H3,(H,24,26)
InChIKeyFTGIVFWKWJEKAE-UHFFFAOYSA-N
XLogP3.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Cycloheptyl-1-[(2,4,6-Trimethylphenyl)sulfonyl]piperidine-4-Carboxamide
CID 2110176
(3s,5r)-N-(2,2-Diphenylethyl)-5-{[(4-Methylphenyl)sulfonyl]amino}piperidine-3-Carboxamide
CID 11993712
3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 670778
Sulfonamide deriv., 7c
CID 3433937
N-cyclohexyl-3-{4-[(isobutylamino)sulfonyl]phenyl}propanamide
CID 1210859
3-{4-[(isobutylamino)sulfonyl]phenyl}-N-(2-phenylethyl)propanamide
CID 1289346
1-(4-methylphenyl)sulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 2450240
N-ethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 3161026
2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 3437887
2-Propyl-pentanoic acid [2-(4-sulfamoyl-phenyl)-ethyl]-amide
CID 11099458
2-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 889524
N-cyclohexyl-1-[(2,4,6-trimethylphenyl)sulfonyl]piperidine-4-carboxamide
CID 1090889

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-phenylethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 21372906) is N-(2-phenylethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCCc3ccccc3)CC2)c(C)c1.
What is the InChIKey of N-(2-phenylethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is FTGIVFWKWJEKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-17-15-18(2)22(19(3)16-17)29(27,28)25-13-10-21(11-14-25)23(26)24-12-9-20-7-5-4-6-8-20/h4-8,15-16,21H,9-14H2,1-3H3,(H,24,26).
What are the key properties of N-(2-phenylethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-(2-phenylethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 414.57 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 21372906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).