N-(2-phenylbutyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

C24H32N2O3S — CID 43016058

IUPACN-(2-phenylbutyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCCC(CNC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C24H32N2O3S/c1-2-21(22-9-5-3-6-10-22)19-25-24(27)16-13-20-11-14-23(15-12-20)30(28,29)26-17-7-4-8-18-26/h3,5-6,9-12,14-15,21H,2,4,7-8,13,16-19H2,1H3,(H,25,27)
InChIKeyVCMSQNCUZGZKKO-UHFFFAOYSA-N
MW428.60 g/mol
LogP4.10
Rot. Bonds9

About N-(2-phenylbutyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

N-(2-phenylbutyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 43016058) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is N-(2-phenylbutyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-phenylbutyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID43016058
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC NameN-(2-phenylbutyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCCC(CNC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C24H32N2O3S/c1-2-21(22-9-5-3-6-10-22)19-25-24(27)16-13-20-11-14-23(15-12-20)30(28,29)26-17-7-4-8-18-26/h3,5-6,9-12,14-15,21H,2,4,7-8,13,16-19H2,1H3,(H,25,27)
InChIKeyVCMSQNCUZGZKKO-UHFFFAOYSA-N
XLogP4.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 17468734
3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]propanamide
CID 100796384
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 42987404
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 43049020
methyl 3-phenyl-3-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]propanoate
CID 46483405
N-(2-acetamidoethyl)-3-[4-(azepan-1-ylsulfonyl)phenyl]propanamide
CID 9204753
2,2-dimethyl-3-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]propanoic acid
CID 119249808
N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9271161
3-(4-piperidin-1-ylsulfonylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide
CID 43006531
N-(2-benzylsulfanylethyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 27861128
N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide
CID 9414906
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-methyl-2-morpholin-4-ylbutyl)propanamide
CID 55520546

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylbutyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(2-phenylbutyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 43016058) is N-(2-phenylbutyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(2-phenylbutyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(2-phenylbutyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is CCC(CNC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1.
What is the InChIKey of N-(2-phenylbutyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is VCMSQNCUZGZKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-2-21(22-9-5-3-6-10-22)19-25-24(27)16-13-20-11-14-23(15-12-20)30(28,29)26-17-7-4-8-18-26/h3,5-6,9-12,14-15,21H,2,4,7-8,13,16-19H2,1H3,(H,25,27).
What are the key properties of N-(2-phenylbutyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
N-(2-phenylbutyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 428.60 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylbutyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 43016058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).