(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N,N-diethylpiperidine-3-carboxamide

C20H33N3O5S2 — CID 162365409

IUPAC(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)C1
InChIInChI=1S/C20H33N3O5S2/c1-5-21(6-2)20(24)17-10-9-15-23(16-17)30(27,28)19-13-11-18(12-14-19)29(25,26)22(7-3)8-4/h11-14,17H,5-10,15-16H2,1-4H3/t17-/m1/s1
InChIKeyXJNLPGFCCUGFTF-QGZVFWFLSA-N
MW459.63 g/mol
LogP1.99
Rot. Bonds9

About (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N,N-diethylpiperidine-3-carboxamide

(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N,N-diethylpiperidine-3-carboxamide (PubChem CID 162365409) has the molecular formula C20H33N3O5S2 and a molecular weight of 459.63 g/mol. Its IUPAC name is (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N,N-diethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N,N-diethylpiperidine-3-carboxamide
PubChem CID162365409
Molecular FormulaC20H33N3O5S2
Molecular Weight459.63 g/mol
Exact Mass459.19
IUPAC Name(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)C1
InChIInChI=1S/C20H33N3O5S2/c1-5-21(6-2)20(24)17-10-9-15-23(16-17)30(27,28)19-13-11-18(12-14-19)29(25,26)22(7-3)8-4/h11-14,17H,5-10,15-16H2,1-4H3/t17-/m1/s1
InChIKeyXJNLPGFCCUGFTF-QGZVFWFLSA-N
XLogP1.99
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.63
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N,N-diethylpiperidine-3-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 (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N,N-diethylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N,N-diethylpiperidine-3-carboxamide (CID 162365409) is (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N,N-diethylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N,N-diethylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N,N-diethylpiperidine-3-carboxamide is CCN(CC)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)C1.
What is the InChIKey of (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N,N-diethylpiperidine-3-carboxamide?
The InChIKey is XJNLPGFCCUGFTF-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H33N3O5S2/c1-5-21(6-2)20(24)17-10-9-15-23(16-17)30(27,28)19-13-11-18(12-14-19)29(25,26)22(7-3)8-4/h11-14,17H,5-10,15-16H2,1-4H3/t17-/m1/s1.
What are the key properties of (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N,N-diethylpiperidine-3-carboxamide?
(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N,N-diethylpiperidine-3-carboxamide has a molecular weight of 459.63 g/mol, XLogP of 1.99, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N,N-diethylpiperidine-3-carboxamide is sourced from PubChem (CID 162365409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).