(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

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Related Compounds

[1-(Phenylsulfonyl)-4-piperidinyl](piperidino)methanone
CID 1084367
N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxamide
CID 3214767
N,N-diethyl-4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 92463235
(4,4-difluoropiperidin-1-yl)-[(3R)-1-(4-pentan-3-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanone
CID 162365278
N,N-diethyl-4-[(3R)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]sulfonylbenzenesulfonamide
CID 162365279
Oxphos-IN-1
CID 162365284
tert-butyl 4-[(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carbonyl]piperazine-1-carboxylate
CID 162365322
tert-butyl 4-[[(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 162365331
(R)-(4,4-Difluoropiperidin-1-yl)(1-((4-(isopropylsulfonyl)phenyl)sulfonyl)piperidin-3-yl)methanone
CID 162365370
N,N-diethyl-4-[(3R)-3-(4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 162365377
N,N-diethyl-4-[(3R)-3-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]sulfonylbenzenesulfonamide
CID 162365390
4-[(3R)-3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidin-1-yl]sulfonyl-N,N-diethylbenzenesulfonamide
CID 162365407

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).