N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide

C25H35N3O3S2 — CID 4092642

IUPACN-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)CSc2cc(C)ccc2C)c1
InChIInChI=1S/C25H35N3O3S2/c1-5-28(6-2)33(30,31)21-12-13-23(27-14-8-7-9-15-27)22(17-21)26-25(29)18-32-24-16-19(3)10-11-20(24)4/h10-13,16-17H,5-9,14-15,18H2,1-4H3,(H,26,29)
InChIKeyGYJLMWNBFONUJZ-UHFFFAOYSA-N
MW489.71 g/mol
LogP5.06
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide

N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide (PubChem CID 4092642) has the molecular formula C25H35N3O3S2 and a molecular weight of 489.71 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide
PubChem CID4092642
Molecular FormulaC25H35N3O3S2
Molecular Weight489.71 g/mol
Exact Mass489.21
IUPAC NameN-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)CSc2cc(C)ccc2C)c1
InChIInChI=1S/C25H35N3O3S2/c1-5-28(6-2)33(30,31)21-12-13-23(27-14-8-7-9-15-27)22(17-21)26-25(29)18-32-24-16-19(3)10-11-20(24)4/h10-13,16-17H,5-9,14-15,18H2,1-4H3,(H,26,29)
InChIKeyGYJLMWNBFONUJZ-UHFFFAOYSA-N
XLogP5.06
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.71
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55667323
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]cyclopropanecarboxamide
CID 7478657
ethyl 4-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylanilino]-4-oxobutanoate
CID 33143034
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide
CID 7551410
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-propan-2-ylsulfanylacetamide
CID 30841717
N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 17431519
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 3583304
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]oxane-4-carboxamide
CID 30970754
ethyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]piperidine-1-carboxylate
CID 31504732
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 55390515
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60529635
N-[3,5-bis(trifluoromethyl)phenyl]-2-[5-(diethylsulfamoyl)-2-piperidin-1-ylanilino]acetamide
CID 4839004

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide (CID 4092642) is N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide is CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)CSc2cc(C)ccc2C)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide?
The InChIKey is GYJLMWNBFONUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3S2/c1-5-28(6-2)33(30,31)21-12-13-23(27-14-8-7-9-15-27)22(17-21)26-25(29)18-32-24-16-19(3)10-11-20(24)4/h10-13,16-17H,5-9,14-15,18H2,1-4H3,(H,26,29).
What are the key properties of N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide?
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide has a molecular weight of 489.71 g/mol, XLogP of 5.06, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide is sourced from PubChem (CID 4092642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).