N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide

C22H19N5O4S2 — CID 20597673

IUPACN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(CSc4cnccn4)c3)cc2)no1
InChIInChI=1S/C22H19N5O4S2/c1-15-11-20(26-31-15)27-33(29,30)19-7-5-18(6-8-19)25-22(28)17-4-2-3-16(12-17)14-32-21-13-23-9-10-24-21/h2-13H,14H2,1H3,(H,25,28)(H,26,27)
InChIKeyWQRDZVAXSICKAC-UHFFFAOYSA-N
MW481.56 g/mol
LogP4.12
Rot. Bonds8

About N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide

N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide (PubChem CID 20597673) has the molecular formula C22H19N5O4S2 and a molecular weight of 481.56 g/mol. Its IUPAC name is N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide
PubChem CID20597673
Molecular FormulaC22H19N5O4S2
Molecular Weight481.56 g/mol
Exact Mass481.09
IUPAC NameN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(CSc4cnccn4)c3)cc2)no1
InChIInChI=1S/C22H19N5O4S2/c1-15-11-20(26-31-15)27-33(29,30)19-7-5-18(6-8-19)25-22(28)17-4-2-3-16(12-17)14-32-21-13-23-9-10-24-21/h2-13H,14H2,1H3,(H,25,28)(H,26,27)
InChIKeyWQRDZVAXSICKAC-UHFFFAOYSA-N
XLogP4.12
TPSA127.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3,5-dimethylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597621
N-(3,5-dibromo-4-methylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 10278221
3-(pyrazin-2-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 20597448
1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide
CID 5175832
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-phenoxybenzamide
CID 2141409
N-(6-methoxy-3-pyridinyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597736
4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-phenylbenzamide
CID 109061637
3,5-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 17311084
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-(2-phenylethoxy)benzamide
CID 4956376
N-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
CID 27229043
4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)benzamide
CID 109061783
N-(3-methoxy-4-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597642

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide?
The IUPAC name of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide (CID 20597673) is N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(CSc4cnccn4)c3)cc2)no1.
What is the InChIKey of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide?
The InChIKey is WQRDZVAXSICKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O4S2/c1-15-11-20(26-31-15)27-33(29,30)19-7-5-18(6-8-19)25-22(28)17-4-2-3-16(12-17)14-32-21-13-23-9-10-24-21/h2-13H,14H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide?
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide has a molecular weight of 481.56 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 20597673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).