N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-4-methyl-1,3-thiazole-5-carboxamide

C20H28N4O3S2 — CID 60529635

IUPACN-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)c2scnc2C)c1
InChIInChI=1S/C20H28N4O3S2/c1-4-24(5-2)29(26,27)16-9-10-18(23-11-7-6-8-12-23)17(13-16)22-20(25)19-15(3)21-14-28-19/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,22,25)
InChIKeyYGSNCOUDQNDOGV-UHFFFAOYSA-N
MW436.60 g/mol
LogP3.72
Rot. Bonds7

About N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-4-methyl-1,3-thiazole-5-carboxamide

N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 60529635) has the molecular formula C20H28N4O3S2 and a molecular weight of 436.60 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID60529635
Molecular FormulaC20H28N4O3S2
Molecular Weight436.60 g/mol
Exact Mass436.16
IUPAC NameN-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)c2scnc2C)c1
InChIInChI=1S/C20H28N4O3S2/c1-4-24(5-2)29(26,27)16-9-10-18(23-11-7-6-8-12-23)17(13-16)22-20(25)19-15(3)21-14-28-19/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,22,25)
InChIKeyYGSNCOUDQNDOGV-UHFFFAOYSA-N
XLogP3.72
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3,5-dimethoxybenzamide
CID 4796940
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]cyclopropanecarboxamide
CID 7478657
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide
CID 7551410
methyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]benzoate
CID 26880898
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-1-benzothiophene-2-carboxamide
CID 16561052
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 4986989
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]oxane-4-carboxamide
CID 30970754
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(propanoylamino)benzamide
CID 55883022
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-4-prop-2-enoxybenzamide
CID 55577639
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(2-methoxyethoxy)benzamide
CID 55997175
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55667323
ethyl 4-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylanilino]-4-oxobutanoate
CID 33143034

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 60529635) is N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-4-methyl-1,3-thiazole-5-carboxamide is CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)c2scnc2C)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is YGSNCOUDQNDOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3S2/c1-4-24(5-2)29(26,27)16-9-10-18(23-11-7-6-8-12-23)17(13-16)22-20(25)19-15(3)21-14-28-19/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,22,25).
What are the key properties of N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 436.60 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 60529635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).