N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide

C18H18N6O4S2 — CID 45497666

IUPACN-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Cc2csc(NC(=O)c3cnccn3)n2)cc1
InChIInChI=1S/C18H18N6O4S2/c19-30(27,28)14-3-1-12(2-4-14)5-6-22-16(25)9-13-11-29-18(23-13)24-17(26)15-10-20-7-8-21-15/h1-4,7-8,10-11H,5-6,9H2,(H,22,25)(H2,19,27,28)(H,23,24,26)
InChIKeyBLCFAHOMAIAHKK-UHFFFAOYSA-N
MW446.51 g/mol
LogP0.73
Rot. Bonds8

About N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide

N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide (PubChem CID 45497666) has the molecular formula C18H18N6O4S2 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
PubChem CID45497666
Molecular FormulaC18H18N6O4S2
Molecular Weight446.51 g/mol
Exact Mass446.08
IUPAC NameN-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Cc2csc(NC(=O)c3cnccn3)n2)cc1
InChIInChI=1S/C18H18N6O4S2/c19-30(27,28)14-3-1-12(2-4-14)5-6-22-16(25)9-13-11-29-18(23-13)24-17(26)15-10-20-7-8-21-15/h1-4,7-8,10-11H,5-6,9H2,(H,22,25)(H2,19,27,28)(H,23,24,26)
InChIKeyBLCFAHOMAIAHKK-UHFFFAOYSA-N
XLogP0.73
TPSA157.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide with MolForge

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Related Compounds

4-fluoro-N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 41228817
N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27538589
N-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 45497670
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605604
2-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 39084342
2-(3,4-dichlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4784267
N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 41229370
N-[2-(4-fluorophenyl)ethyl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 27378023
2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 16898946
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-sulfamoylphenyl)acetamide
CID 41211564
3,4-dimethoxy-N-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18568006
N-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 17431209

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide (CID 45497666) is N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)Cc2csc(NC(=O)c3cnccn3)n2)cc1.
What is the InChIKey of N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The InChIKey is BLCFAHOMAIAHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O4S2/c19-30(27,28)14-3-1-12(2-4-14)5-6-22-16(25)9-13-11-29-18(23-13)24-17(26)15-10-20-7-8-21-15/h1-4,7-8,10-11H,5-6,9H2,(H,22,25)(H2,19,27,28)(H,23,24,26).
What are the key properties of N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 0.73, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 45497666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).