N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]piperidine-3-carboxamide

C16H26N4O3S — CID 119266543

IUPACN-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]piperidine-3-carboxamide
SMILESCCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCCNC1
InChIInChI=1S/C16H26N4O3S/c1-4-18-14-8-7-13(24(22,23)20(2)3)10-15(14)19-16(21)12-6-5-9-17-11-12/h7-8,10,12,17-18H,4-6,9,11H2,1-3H3,(H,19,21)
InChIKeyZNDQBRRYLHZWBF-UHFFFAOYSA-N
MW354.48 g/mol
LogP1.31
Rot. Bonds6

About N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]piperidine-3-carboxamide

N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]piperidine-3-carboxamide (PubChem CID 119266543) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]piperidine-3-carboxamide
PubChem CID119266543
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC NameN-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]piperidine-3-carboxamide
SMILESCCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCCNC1
InChIInChI=1S/C16H26N4O3S/c1-4-18-14-8-7-13(24(22,23)20(2)3)10-15(14)19-16(21)12-6-5-9-17-11-12/h7-8,10,12,17-18H,4-6,9,11H2,1-3H3,(H,19,21)
InChIKeyZNDQBRRYLHZWBF-UHFFFAOYSA-N
XLogP1.31
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 119689801
N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide
CID 119797775
(3R)-N-(2-bromo-4-sulfamoylphenyl)piperidine-3-carboxamide
CID 81125256
(3S)-N-(2-bromo-4-sulfamoylphenyl)piperidine-3-carboxamide
CID 81125110
(3S)-N-[2-(ethylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 81118453
N-[2-[(dimethylamino)methyl]-4-methylphenyl]piperidine-3-carboxamide;dihydrochloride
CID 119887720
N-[[4-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119735471
N-(2-methylsulfonylphenyl)piperidine-3-carboxamide
CID 43709740
4-amino-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]butanamide
CID 119266545
N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]-2-(4-methylphenyl)acetamide
CID 25343989
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-methylcyclopropane-1-carboxamide
CID 78848189
N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide;hydrochloride
CID 119263634

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]piperidine-3-carboxamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]piperidine-3-carboxamide (CID 119266543) is N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]piperidine-3-carboxamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]piperidine-3-carboxamide is CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCCNC1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]piperidine-3-carboxamide?
The InChIKey is ZNDQBRRYLHZWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-4-18-14-8-7-13(24(22,23)20(2)3)10-15(14)19-16(21)12-6-5-9-17-11-12/h7-8,10,12,17-18H,4-6,9,11H2,1-3H3,(H,19,21).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]piperidine-3-carboxamide?
N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]piperidine-3-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 119266543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).