3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]pyrazine-2-carboxamide

C16H21N5O3S — CID 51312748

IUPAC3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]pyrazine-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2nccnc2N)cc1
InChIInChI=1S/C16H21N5O3S/c1-3-21(4-2)25(23,24)13-7-5-12(6-8-13)11-20-16(22)14-15(17)19-10-9-18-14/h5-10H,3-4,11H2,1-2H3,(H2,17,19)(H,20,22)
InChIKeyMDHNKISNYJAFBH-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.02
Rot. Bonds7

About 3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]pyrazine-2-carboxamide

3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]pyrazine-2-carboxamide (PubChem CID 51312748) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is 3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]pyrazine-2-carboxamide
PubChem CID51312748
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC Name3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]pyrazine-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2nccnc2N)cc1
InChIInChI=1S/C16H21N5O3S/c1-3-21(4-2)25(23,24)13-7-5-12(6-8-13)11-20-16(22)14-15(17)19-10-9-18-14/h5-10H,3-4,11H2,1-2H3,(H2,17,19)(H,20,22)
InChIKeyMDHNKISNYJAFBH-UHFFFAOYSA-N
XLogP1.02
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyrazine-2-carboxamide
CID 17452742
4-[[4-(diethylsulfamoyl)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119179721
3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzamide;hydrochloride
CID 119691040
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1H-indazole-3-carboxamide
CID 9269012
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
N-[[4-(diethylsulfamoyl)phenyl]methyl]prop-2-enamide
CID 66675297
N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715770
2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-phenylacetamide
CID 119272071
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-dimethylbenzamide
CID 9474464
4-[[(4-aminophenyl)methylamino]methyl]-N,N-diethylbenzenesulfonamide
CID 171536135
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-difluorobenzamide
CID 26423277
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide
CID 7603385

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]pyrazine-2-carboxamide (CID 51312748) is 3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]pyrazine-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2nccnc2N)cc1.
What is the InChIKey of 3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]pyrazine-2-carboxamide?
The InChIKey is MDHNKISNYJAFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-3-21(4-2)25(23,24)13-7-5-12(6-8-13)11-20-16(22)14-15(17)19-10-9-18-14/h5-10H,3-4,11H2,1-2H3,(H2,17,19)(H,20,22).
What are the key properties of 3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]pyrazine-2-carboxamide?
3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]pyrazine-2-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 51312748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).