(3R)-1-(dimethylsulfamoyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperidine-3-carboxamide

C17H26N4O5S — CID 95877726

IUPAC(3R)-1-(dimethylsulfamoyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCNC(=O)c1ccc(OC)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1
InChIInChI=1S/C17H26N4O5S/c1-18-16(22)12-7-8-15(26-4)14(10-12)19-17(23)13-6-5-9-21(11-13)27(24,25)20(2)3/h7-8,10,13H,5-6,9,11H2,1-4H3,(H,18,22)(H,19,23)/t13-/m1/s1
InChIKeyYIOGKXTZECSSEX-CYBMUJFWSA-N
MW398.49 g/mol
LogP0.51
Rot. Bonds6

About (3R)-1-(dimethylsulfamoyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperidine-3-carboxamide

(3R)-1-(dimethylsulfamoyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperidine-3-carboxamide (PubChem CID 95877726) has the molecular formula C17H26N4O5S and a molecular weight of 398.49 g/mol. Its IUPAC name is (3R)-1-(dimethylsulfamoyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(dimethylsulfamoyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
PubChem CID95877726
Molecular FormulaC17H26N4O5S
Molecular Weight398.49 g/mol
Exact Mass398.16
IUPAC Name(3R)-1-(dimethylsulfamoyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCNC(=O)c1ccc(OC)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1
InChIInChI=1S/C17H26N4O5S/c1-18-16(22)12-7-8-15(26-4)14(10-12)19-17(23)13-6-5-9-21(11-13)27(24,25)20(2)3/h7-8,10,13H,5-6,9,11H2,1-4H3,(H,18,22)(H,19,23)/t13-/m1/s1
InChIKeyYIOGKXTZECSSEX-CYBMUJFWSA-N
XLogP0.51
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(dimethylsulfamoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 28575034
N-(3-chloro-4-methoxyphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 43876123
methyl 4-[[(3R)-1-(dimethylsulfamoyl)piperidine-3-carbonyl]amino]benzoate
CID 94011850
ethyl 4-[[(3R)-1-(dimethylsulfamoyl)piperidine-3-carbonyl]amino]-3-methylbenzoate
CID 92671950
4-[[2-methoxy-5-(methylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672574
(3R)-N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 25469701
1-(dimethylsulfamoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 43905928
(3R)-1-(dimethylsulfamoyl)-N-methylpiperidine-3-carboxamide
CID 94012254
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168030
1-(benzenesulfonyl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 2985320
1-(dimethylsulfamoyl)-N-phenylpiperidine-3-carboxamide
CID 46770903
N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3151849

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(dimethylsulfamoyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(dimethylsulfamoyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperidine-3-carboxamide (CID 95877726) is (3R)-1-(dimethylsulfamoyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(dimethylsulfamoyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(dimethylsulfamoyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperidine-3-carboxamide is CNC(=O)c1ccc(OC)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1.
What is the InChIKey of (3R)-1-(dimethylsulfamoyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperidine-3-carboxamide?
The InChIKey is YIOGKXTZECSSEX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N4O5S/c1-18-16(22)12-7-8-15(26-4)14(10-12)19-17(23)13-6-5-9-21(11-13)27(24,25)20(2)3/h7-8,10,13H,5-6,9,11H2,1-4H3,(H,18,22)(H,19,23)/t13-/m1/s1.
What are the key properties of (3R)-1-(dimethylsulfamoyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperidine-3-carboxamide?
(3R)-1-(dimethylsulfamoyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperidine-3-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(dimethylsulfamoyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 95877726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).