(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-methyl-N-propan-2-ylpiperidine-3-carboxamide

C20H33N3O5S2 — CID 162365332

IUPAC(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-methyl-N-propan-2-ylpiperidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)C(C)C)C2)cc1
InChIInChI=1S/C20H33N3O5S2/c1-6-22(7-2)29(25,26)18-10-12-19(13-11-18)30(27,28)23-14-8-9-17(15-23)20(24)21(5)16(3)4/h10-13,16-17H,6-9,14-15H2,1-5H3/t17-/m1/s1
InChIKeyLXBPFMAEYSAPAH-QGZVFWFLSA-N
MW459.63 g/mol
LogP1.98
Rot. Bonds8

About (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-methyl-N-propan-2-ylpiperidine-3-carboxamide

(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-methyl-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 162365332) 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-methyl-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-methyl-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID162365332
Molecular FormulaC20H33N3O5S2
Molecular Weight459.63 g/mol
Exact Mass459.19
IUPAC Name(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-methyl-N-propan-2-ylpiperidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)C(C)C)C2)cc1
InChIInChI=1S/C20H33N3O5S2/c1-6-22(7-2)29(25,26)18-10-12-19(13-11-18)30(27,28)23-14-8-9-17(15-23)20(24)21(5)16(3)4/h10-13,16-17H,6-9,14-15H2,1-5H3/t17-/m1/s1
InChIKeyLXBPFMAEYSAPAH-QGZVFWFLSA-N
XLogP1.98
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.63
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 3158860
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
(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-[(3S)-oxolan-3-yl]piperidine-3-carboxamide
CID 162365276
(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
tert-butyl (3S)-3-[[(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carbonyl]amino]pyrrolidine-1-carboxylate
CID 162365367
(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

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-methyl-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-methyl-N-propan-2-ylpiperidine-3-carboxamide (CID 162365332) is (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-methyl-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-methyl-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-methyl-N-propan-2-ylpiperidine-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)C(C)C)C2)cc1.
What is the InChIKey of (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-methyl-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is LXBPFMAEYSAPAH-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H33N3O5S2/c1-6-22(7-2)29(25,26)18-10-12-19(13-11-18)30(27,28)23-14-8-9-17(15-23)20(24)21(5)16(3)4/h10-13,16-17H,6-9,14-15H2,1-5H3/t17-/m1/s1.
What are the key properties of (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-methyl-N-propan-2-ylpiperidine-3-carboxamide?
(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-methyl-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 459.63 g/mol, XLogP of 1.98, 8 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-methyl-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 162365332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).