N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide

C23H30N2O3S — CID 132664657

IUPACN-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCC(C)CC(NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C23H30N2O3S/c1-18(2)16-22(19-10-5-3-6-11-19)24-23(26)20-12-9-13-21(17-20)29(27,28)25-14-7-4-8-15-25/h3,5-6,9-13,17-18,22H,4,7-8,14-16H2,1-2H3,(H,24,26)
InChIKeyCHQJXXPHLVODPS-UHFFFAOYSA-N
MW414.57 g/mol
LogP4.38
Rot. Bonds7

About N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide

N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 132664657) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID132664657
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC NameN-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCC(C)CC(NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C23H30N2O3S/c1-18(2)16-22(19-10-5-3-6-11-19)24-23(26)20-12-9-13-21(17-20)29(27,28)25-14-7-4-8-15-25/h3,5-6,9-13,17-18,22H,4,7-8,14-16H2,1-2H3,(H,24,26)
InChIKeyCHQJXXPHLVODPS-UHFFFAOYSA-N
XLogP4.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methyl-1-thiophen-2-ylbutyl)-3-piperidin-1-ylsulfonylbenzamide
CID 55923006
4-methyl-N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide
CID 43875754
4-chloro-N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide
CID 43876229
2-chloro-N-[(1R)-3-methyl-1-phenylbutyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 92681418
N-benzhydryl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2420116
3-(azepan-1-ylsulfonyl)-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 99131768
N-[(2R)-butan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 34269316
N-[(2S)-2-phenylpropyl]-3-piperidin-1-ylsulfonylbenzamide
CID 9302186
N-[(2S)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 92527690
3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide
CID 55794713
3-(cyclopropylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
CID 46570374
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(3-methyl-1-phenylbutyl)benzamide
CID 43886772

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide (CID 132664657) is N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide is CC(C)CC(NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1.
What is the InChIKey of N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is CHQJXXPHLVODPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-18(2)16-22(19-10-5-3-6-11-19)24-23(26)20-12-9-13-21(17-20)29(27,28)25-14-7-4-8-15-25/h3,5-6,9-13,17-18,22H,4,7-8,14-16H2,1-2H3,(H,24,26).
What are the key properties of N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide?
N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 414.57 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 132664657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).