2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide

C20H17N5O4S3 — CID 6737806

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3s2)cc1
InChIInChI=1S/C20H17N5O4S3/c1-29-19-18(21-10-11-22-19)25-32(27,28)14-8-6-13(7-9-14)23-17(26)12-30-20-24-15-4-2-3-5-16(15)31-20/h2-11H,12H2,1H3,(H,21,25)(H,23,26)
InChIKeyVPIOBRKASWIBNN-UHFFFAOYSA-N
MW487.59 g/mol
LogP3.63
Rot. Bonds8

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 6737806) has the molecular formula C20H17N5O4S3 and a molecular weight of 487.59 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID6737806
Molecular FormulaC20H17N5O4S3
Molecular Weight487.59 g/mol
Exact Mass487.04
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3s2)cc1
InChIInChI=1S/C20H17N5O4S3/c1-29-19-18(21-10-11-22-19)25-32(27,28)14-8-6-13(7-9-14)23-17(26)12-30-20-24-15-4-2-3-5-16(15)31-20/h2-11H,12H2,1H3,(H,21,25)(H,23,26)
InChIKeyVPIOBRKASWIBNN-UHFFFAOYSA-N
XLogP3.63
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.59
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide with MolForge

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Related Compounds

2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 43853404
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 54782625
N-(4-acetamidophenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 1348443
N-(4-acetylphenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 687281
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-butoxyphenyl)acetamide
CID 3108323
2-cyano-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 168520143
2-(1-bromonaphthalen-2-yl)oxy-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 54782679
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methylphenyl)sulfonylacetamide
CID 1299526
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-bromo-4-methoxyphenyl)acetamide
CID 3588623
2-(3,5-dimethylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 54782757
3-(2-chlorophenyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]propanamide
CID 54783023
1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea
CID 3424492

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide (CID 6737806) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide is COc1nccnc1NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3s2)cc1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is VPIOBRKASWIBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4S3/c1-29-19-18(21-10-11-22-19)25-32(27,28)14-8-6-13(7-9-14)23-17(26)12-30-20-24-15-4-2-3-5-16(15)31-20/h2-11H,12H2,1H3,(H,21,25)(H,23,26).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 487.59 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 6737806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).