(2R)-2-ethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide

C16H25N3O3S — CID 94031215

IUPAC(2R)-2-ethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide
SMILESCC[C@@H]1CCCCN1C(=O)NCc1cccc(S(=O)(=O)NC)c1
InChIInChI=1S/C16H25N3O3S/c1-3-14-8-4-5-10-19(14)16(20)18-12-13-7-6-9-15(11-13)23(21,22)17-2/h6-7,9,11,14,17H,3-5,8,10,12H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyRQYGTNWTFBNLLX-CQSZACIVSA-N
MW339.46 g/mol
LogP2.07
Rot. Bonds5

About (2R)-2-ethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide

(2R)-2-ethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide (PubChem CID 94031215) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is (2R)-2-ethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-ethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide
PubChem CID94031215
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name(2R)-2-ethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide
SMILESCC[C@@H]1CCCCN1C(=O)NCc1cccc(S(=O)(=O)NC)c1
InChIInChI=1S/C16H25N3O3S/c1-3-14-8-4-5-10-19(14)16(20)18-12-13-7-6-9-15(11-13)23(21,22)17-2/h6-7,9,11,14,17H,3-5,8,10,12H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyRQYGTNWTFBNLLX-CQSZACIVSA-N
XLogP2.07
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-ethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide
CID 94031216
(2S)-2-(difluoromethyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 138049611
N-[[3-(methylsulfamoyl)phenyl]methyl]azepane-1-carboxamide
CID 51084559
3-[[(2-ethylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid
CID 61207658
1-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methyl-3-[[3-(methylsulfamoyl)phenyl]methyl]guanidine
CID 111568049
2-ethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide
CID 87004700
(3S)-3-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]morpholine-4-carboxamide
CID 94031214
4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzenesulfonamide
CID 51218665
2-methyl-N-[[3-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 49262524
2-(2-hydroxyethyl)-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide
CID 108898255
2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 87003451
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3-methylbenzenesulfonamide
CID 112995596

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of (2R)-2-ethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide (CID 94031215) is (2R)-2-ethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for (2R)-2-ethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for (2R)-2-ethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide is CC[C@@H]1CCCCN1C(=O)NCc1cccc(S(=O)(=O)NC)c1.
What is the InChIKey of (2R)-2-ethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is RQYGTNWTFBNLLX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-3-14-8-4-5-10-19(14)16(20)18-12-13-7-6-9-15(11-13)23(21,22)17-2/h6-7,9,11,14,17H,3-5,8,10,12H2,1-2H3,(H,18,20)/t14-/m1/s1.
What are the key properties of (2R)-2-ethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide?
(2R)-2-ethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 94031215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).