N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-[2-(methanesulfonamido)phenyl]acetamide

C24H33N3O3S — CID 86935166

IUPACN-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-[2-(methanesulfonamido)phenyl]acetamide
SMILESCC(C)(C)c1ccc(N2CCC(NC(=O)Cc3ccccc3NS(C)(=O)=O)CC2)cc1
InChIInChI=1S/C24H33N3O3S/c1-24(2,3)19-9-11-21(12-10-19)27-15-13-20(14-16-27)25-23(28)17-18-7-5-6-8-22(18)26-31(4,29)30/h5-12,20,26H,13-17H2,1-4H3,(H,25,28)
InChIKeyAMCNEQHKRWWKIS-UHFFFAOYSA-N
MW443.61 g/mol
LogP3.68
Rot. Bonds6

About N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-[2-(methanesulfonamido)phenyl]acetamide

N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-[2-(methanesulfonamido)phenyl]acetamide (PubChem CID 86935166) has the molecular formula C24H33N3O3S and a molecular weight of 443.61 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-[2-(methanesulfonamido)phenyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-[2-(methanesulfonamido)phenyl]acetamide
PubChem CID86935166
Molecular FormulaC24H33N3O3S
Molecular Weight443.61 g/mol
Exact Mass443.22
IUPAC NameN-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-[2-(methanesulfonamido)phenyl]acetamide
SMILESCC(C)(C)c1ccc(N2CCC(NC(=O)Cc3ccccc3NS(C)(=O)=O)CC2)cc1
InChIInChI=1S/C24H33N3O3S/c1-24(2,3)19-9-11-21(12-10-19)27-15-13-20(14-16-27)25-23(28)17-18-7-5-6-8-22(18)26-31(4,29)30/h5-12,20,26H,13-17H2,1-4H3,(H,25,28)
InChIKeyAMCNEQHKRWWKIS-UHFFFAOYSA-N
XLogP3.68
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.61
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]propanamide
CID 16223447
N-[[2-(dipropylamino)-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 25063675
(2S)-N-[(4-tert-butylphenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 44189702
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[4-(4-methylphenyl)piperazin-1-yl]-4-(trifluoromethyl)phenyl]methyl]propanamide
CID 58873268
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[4-(4-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)phenyl]methyl]propanamide
CID 58873277
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]propanamide
CID 58873361
N-[[2-(4-ethylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 58873371
Iem 611
CID 39794
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-(trifluoromethyl)phenyl]methyl]propanamide
CID 122194340
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-4-(trifluoromethyl)phenyl]methyl]propanamide
CID 122194341
N-[[4-tert-butyl-2-(4-methylpiperidin-1-yl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 137640006
N-[[4-tert-butyl-2-[butyl(methyl)amino]phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 137648188

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-[2-(methanesulfonamido)phenyl]acetamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-[2-(methanesulfonamido)phenyl]acetamide (CID 86935166) is N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-[2-(methanesulfonamido)phenyl]acetamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-[2-(methanesulfonamido)phenyl]acetamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-[2-(methanesulfonamido)phenyl]acetamide is CC(C)(C)c1ccc(N2CCC(NC(=O)Cc3ccccc3NS(C)(=O)=O)CC2)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-[2-(methanesulfonamido)phenyl]acetamide?
The InChIKey is AMCNEQHKRWWKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3S/c1-24(2,3)19-9-11-21(12-10-19)27-15-13-20(14-16-27)25-23(28)17-18-7-5-6-8-22(18)26-31(4,29)30/h5-12,20,26H,13-17H2,1-4H3,(H,25,28).
What are the key properties of N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-[2-(methanesulfonamido)phenyl]acetamide?
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-[2-(methanesulfonamido)phenyl]acetamide has a molecular weight of 443.61 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-[2-(methanesulfonamido)phenyl]acetamide is sourced from PubChem (CID 86935166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).