2-amino-N-[4-[(Z)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]acetamide

C11H14N6O5S3 — CID 22953340

IUPAC2-amino-N-[4-[(Z)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]acetamide
SMILESCn1nc(S(N)(=O)=O)s/c1=N\S(=O)(=O)c1ccc(NC(=O)CN)cc1
InChIInChI=1S/C11H14N6O5S3/c1-17-10(23-11(15-17)24(13,19)20)16-25(21,22)8-4-2-7(3-5-8)14-9(18)6-12/h2-5H,6,12H2,1H3,(H,14,18)(H2,13,19,20)/b16-10-
InChIKeyYQQXRCPCCNGDMQ-YBEGLDIGSA-N
MW406.47 g/mol
LogP-1.68
Rot. Bonds5

About 2-amino-N-[4-[(Z)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]acetamide

2-amino-N-[4-[(Z)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]acetamide (PubChem CID 22953340) has the molecular formula C11H14N6O5S3 and a molecular weight of 406.47 g/mol. Its IUPAC name is 2-amino-N-[4-[(Z)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-[(Z)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]acetamide
PubChem CID22953340
Molecular FormulaC11H14N6O5S3
Molecular Weight406.47 g/mol
Exact Mass406.02
IUPAC Name2-amino-N-[4-[(Z)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]acetamide
SMILESCn1nc(S(N)(=O)=O)s/c1=N\S(=O)(=O)c1ccc(NC(=O)CN)cc1
InChIInChI=1S/C11H14N6O5S3/c1-17-10(23-11(15-17)24(13,19)20)16-25(21,22)8-4-2-7(3-5-8)14-9(18)6-12/h2-5H,6,12H2,1H3,(H,14,18)(H2,13,19,20)/b16-10-
InChIKeyYQQXRCPCCNGDMQ-YBEGLDIGSA-N
XLogP-1.68
TPSA179.60 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 5-1.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[(Z)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]acetamide?
The IUPAC name of 2-amino-N-[4-[(Z)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]acetamide (CID 22953340) is 2-amino-N-[4-[(Z)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]acetamide.
What is the SMILES notation for 2-amino-N-[4-[(Z)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]acetamide?
The canonical SMILES for 2-amino-N-[4-[(Z)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]acetamide is Cn1nc(S(N)(=O)=O)s/c1=N\S(=O)(=O)c1ccc(NC(=O)CN)cc1.
What is the InChIKey of 2-amino-N-[4-[(Z)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]acetamide?
The InChIKey is YQQXRCPCCNGDMQ-YBEGLDIGSA-N. The full InChI is InChI=1S/C11H14N6O5S3/c1-17-10(23-11(15-17)24(13,19)20)16-25(21,22)8-4-2-7(3-5-8)14-9(18)6-12/h2-5H,6,12H2,1H3,(H,14,18)(H2,13,19,20)/b16-10-.
What are the key properties of 2-amino-N-[4-[(Z)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]acetamide?
2-amino-N-[4-[(Z)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]acetamide has a molecular weight of 406.47 g/mol, XLogP of -1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[(Z)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]acetamide is sourced from PubChem (CID 22953340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).