1-acetyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]piperidine-4-carboxamide

C19H29N3O4S — CID 17447576

IUPAC1-acetyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]piperidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)C2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C19H29N3O4S/c1-5-22(6-2)27(25,26)17-8-7-14(3)18(13-17)20-19(24)16-9-11-21(12-10-16)15(4)23/h7-8,13,16H,5-6,9-12H2,1-4H3,(H,20,24)
InChIKeyITKNIPSRDBIFQK-UHFFFAOYSA-N
MW395.53 g/mol
LogP2.22
Rot. Bonds6

About 1-acetyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]piperidine-4-carboxamide

1-acetyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]piperidine-4-carboxamide (PubChem CID 17447576) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is 1-acetyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]piperidine-4-carboxamide
PubChem CID17447576
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Name1-acetyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]piperidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)C2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C19H29N3O4S/c1-5-22(6-2)27(25,26)17-8-7-14(3)18(13-17)20-19(24)16-9-11-21(12-10-16)15(4)23/h7-8,13,16H,5-6,9-12H2,1-4H3,(H,20,24)
InChIKeyITKNIPSRDBIFQK-UHFFFAOYSA-N
XLogP2.22
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]piperidine-4-carboxamide
CID 166435529
2-(4-acetylpiperazin-1-yl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 8904414
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55752758
ethyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]piperidine-1-carboxylate
CID 31504732
1-acetyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 108804425
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide
CID 7551410
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]cyclopropanecarboxamide
CID 7478657
2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 3606084
2,2,2-trifluoroethyl 4-[[5-(diethylsulfamoyl)-2,3-dimethylphenyl]carbamoyl]piperidine-1-carboxylate
CID 24586987
4-N-[4-(diethylsulfamoyl)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56922315
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]piperidine-4-carboxamide
CID 119272853
[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopentanecarboxylate
CID 7717506

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]piperidine-4-carboxamide (CID 17447576) is 1-acetyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]piperidine-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)C2CCN(C(C)=O)CC2)c1.
What is the InChIKey of 1-acetyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]piperidine-4-carboxamide?
The InChIKey is ITKNIPSRDBIFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-5-22(6-2)27(25,26)17-8-7-14(3)18(13-17)20-19(24)16-9-11-21(12-10-16)15(4)23/h7-8,13,16H,5-6,9-12H2,1-4H3,(H,20,24).
What are the key properties of 1-acetyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]piperidine-4-carboxamide?
1-acetyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]piperidine-4-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]piperidine-4-carboxamide is sourced from PubChem (CID 17447576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).