N,N-diethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide

C18H29N3O3S — CID 1091480

IUPACN,N-diethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C18H29N3O3S/c1-6-19(7-2)18(22)20-8-10-21(11-9-20)25(23,24)17-15(4)12-14(3)13-16(17)5/h12-13H,6-11H2,1-5H3
InChIKeyUKPDKGNQWAEMDP-UHFFFAOYSA-N
MW367.52 g/mol
LogP2.38
Rot. Bonds4

About N,N-diethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide

N,N-diethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 1091480) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N,N-diethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide
PubChem CID1091480
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN,N-diethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C18H29N3O3S/c1-6-19(7-2)18(22)20-8-10-21(11-9-20)25(23,24)17-15(4)12-14(3)13-16(17)5/h12-13H,6-11H2,1-5H3
InChIKeyUKPDKGNQWAEMDP-UHFFFAOYSA-N
XLogP2.38
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide (CID 1091480) is N,N-diethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1.
What is the InChIKey of N,N-diethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is UKPDKGNQWAEMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-6-19(7-2)18(22)20-8-10-21(11-9-20)25(23,24)17-15(4)12-14(3)13-16(17)5/h12-13H,6-11H2,1-5H3.
What are the key properties of N,N-diethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide?
N,N-diethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 367.52 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 1091480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).