(3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxamide

C19H29N3O5S2 — CID 1456767

IUPAC(3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)cc1
InChIInChI=1S/C19H29N3O5S2/c1-3-21(4-2)28(24,25)17-9-11-18(12-10-17)29(26,27)22-13-5-6-15(14-22)19(23)20-16-7-8-16/h9-12,15-16H,3-8,13-14H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyILUNLDBQWXTCLO-OAHLLOKOSA-N
MW443.59 g/mol
LogP1.40
Rot. Bonds8

About (3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxamide

(3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxamide (PubChem CID 1456767) has the molecular formula C19H29N3O5S2 and a molecular weight of 443.59 g/mol. Its IUPAC name is (3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxamide
PubChem CID1456767
Molecular FormulaC19H29N3O5S2
Molecular Weight443.59 g/mol
Exact Mass443.15
IUPAC Name(3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)cc1
InChIInChI=1S/C19H29N3O5S2/c1-3-21(4-2)28(24,25)17-9-11-18(12-10-17)29(26,27)22-13-5-6-15(14-22)19(23)20-16-7-8-16/h9-12,15-16H,3-8,13-14H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyILUNLDBQWXTCLO-OAHLLOKOSA-N
XLogP1.40
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonamido)-N-(4-methylcyclohexyl)propanamide
CID 24687507
N-cyclohexyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 3158860
N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxamide
CID 3214767
(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-[(3S)-oxolan-3-yl]piperidine-3-carboxamide
CID 162365276
Oxphos-IN-1
CID 162365284
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
(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxycyclohexyl)piperidine-3-carboxamide
CID 162365381
(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N,N-diethylpiperidine-3-carboxamide
CID 162365409
4-[(3R)-3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]sulfonyl-N,N-diethylbenzenesulfonamide
CID 162365417
(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-[(3R)-oxolan-3-yl]piperidine-3-carboxamide
CID 162365428
tert-butyl (3R)-3-[[(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carbonyl]amino]pyrrolidine-1-carboxylate
CID 162365470

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxamide (CID 1456767) is (3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)cc1.
What is the InChIKey of (3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxamide?
The InChIKey is ILUNLDBQWXTCLO-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H29N3O5S2/c1-3-21(4-2)28(24,25)17-9-11-18(12-10-17)29(26,27)22-13-5-6-15(14-22)19(23)20-16-7-8-16/h9-12,15-16H,3-8,13-14H2,1-2H3,(H,20,23)/t15-/m1/s1.
What are the key properties of (3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxamide?
(3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxamide has a molecular weight of 443.59 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 1456767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).