N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-propylsulfanylacetamide

C20H33N3O3S2 — CID 55876228

IUPACN-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-propylsulfanylacetamide
SMILESCCCSCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(CC)CC
InChIInChI=1S/C20H33N3O3S2/c1-4-14-27-16-20(24)21-18-15-17(10-11-19(18)22(5-2)6-3)28(25,26)23-12-8-7-9-13-23/h10-11,15H,4-9,12-14,16H2,1-3H3,(H,21,24)
InChIKeyWAVDRHUEEVCUKN-UHFFFAOYSA-N
MW427.64 g/mol
LogP3.79
Rot. Bonds10

About N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-propylsulfanylacetamide

N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-propylsulfanylacetamide (PubChem CID 55876228) has the molecular formula C20H33N3O3S2 and a molecular weight of 427.64 g/mol. Its IUPAC name is N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-propylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-propylsulfanylacetamide
PubChem CID55876228
Molecular FormulaC20H33N3O3S2
Molecular Weight427.64 g/mol
Exact Mass427.20
IUPAC NameN-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-propylsulfanylacetamide
SMILESCCCSCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(CC)CC
InChIInChI=1S/C20H33N3O3S2/c1-4-14-27-16-20(24)21-18-15-17(10-11-19(18)22(5-2)6-3)28(25,26)23-12-8-7-9-13-23/h10-11,15H,4-9,12-14,16H2,1-3H3,(H,21,24)
InChIKeyWAVDRHUEEVCUKN-UHFFFAOYSA-N
XLogP3.79
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.64
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-propylsulfanylacetamide
CID 55823578
2-[2-(diethylamino)-5-piperidin-1-ylsulfonylanilino]-N-ethylacetamide
CID 17393393
N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]pyridine-2-carboxamide
CID 25336498
N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 30037448
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55667278
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 3547247
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 55667277
2-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 29194893
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 42965288
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 55605980
N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16581645
2-(benzotriazol-1-yl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 55370605

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-propylsulfanylacetamide?
The IUPAC name of N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-propylsulfanylacetamide (CID 55876228) is N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-propylsulfanylacetamide.
What is the SMILES notation for N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-propylsulfanylacetamide?
The canonical SMILES for N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-propylsulfanylacetamide is CCCSCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(CC)CC.
What is the InChIKey of N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-propylsulfanylacetamide?
The InChIKey is WAVDRHUEEVCUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S2/c1-4-14-27-16-20(24)21-18-15-17(10-11-19(18)22(5-2)6-3)28(25,26)23-12-8-7-9-13-23/h10-11,15H,4-9,12-14,16H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-propylsulfanylacetamide?
N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-propylsulfanylacetamide has a molecular weight of 427.64 g/mol, XLogP of 3.79, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-propylsulfanylacetamide is sourced from PubChem (CID 55876228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).