5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyrazine-2-carboxylic acid

C16H20N4O4S — CID 122053304

IUPAC5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyrazine-2-carboxylic acid
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNc1cnc(C(=O)O)cn1
InChIInChI=1S/C16H20N4O4S/c1-11(2)20-25(23,24)10-13-6-4-3-5-12(13)7-18-15-9-17-14(8-19-15)16(21)22/h3-6,8-9,11,20H,7,10H2,1-2H3,(H,18,19)(H,21,22)
InChIKeySXCOTVPGJNGIGU-UHFFFAOYSA-N
MW364.43 g/mol
LogP1.61
Rot. Bonds8

About 5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyrazine-2-carboxylic acid

5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyrazine-2-carboxylic acid (PubChem CID 122053304) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is 5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyrazine-2-carboxylic acid
PubChem CID122053304
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyrazine-2-carboxylic acid
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNc1cnc(C(=O)O)cn1
InChIInChI=1S/C16H20N4O4S/c1-11(2)20-25(23,24)10-13-6-4-3-5-12(13)7-18-15-9-17-14(8-19-15)16(21)22/h3-6,8-9,11,20H,7,10H2,1-2H3,(H,18,19)(H,21,22)
InChIKeySXCOTVPGJNGIGU-UHFFFAOYSA-N
XLogP1.61
TPSA121.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyrazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide
CID 86816133
2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 31945509
1-phenyl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
CID 17405433
1-[2-[[(6-cyano-3-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide
CID 133359068
5-[(2-cyclopentyloxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 122053135
(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 119307074
5-[(2-methoxyphenyl)methylamino]-N-propan-2-ylpyrazine-2-carboxamide
CID 109271187
1-[2-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide
CID 17499839
5-[[4-(2-methylpropylsulfamoyl)phenyl]methylamino]pyrazine-2-carboxylic acid
CID 122049013
2,6-difluoro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 51279145
1-naphthalen-1-yl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
CID 24616463
5-[2-(ethylsulfonylamino)ethylamino]pyrazine-2-carboxylic acid
CID 122053496

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyrazine-2-carboxylic acid (CID 122053304) is 5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyrazine-2-carboxylic acid is CC(C)NS(=O)(=O)Cc1ccccc1CNc1cnc(C(=O)O)cn1.
What is the InChIKey of 5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyrazine-2-carboxylic acid?
The InChIKey is SXCOTVPGJNGIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-11(2)20-25(23,24)10-13-6-4-3-5-12(13)7-18-15-9-17-14(8-19-15)16(21)22/h3-6,8-9,11,20H,7,10H2,1-2H3,(H,18,19)(H,21,22).
What are the key properties of 5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyrazine-2-carboxylic acid?
5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyrazine-2-carboxylic acid has a molecular weight of 364.43 g/mol, XLogP of 1.61, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122053304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).