2-(methylamino)-N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide

C11H14N6O5S3 — CID 10525380

IUPAC2-(methylamino)-N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
SMILESCNCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1
InChIInChI=1S/C11H14N6O5S3/c1-13-6-9(18)14-7-2-4-8(5-3-7)25(21,22)17-10-15-16-11(23-10)24(12,19)20/h2-5,13H,6H2,1H3,(H,14,18)(H,15,17)(H2,12,19,20)
InChIKeyFYYOGLGDZCDBDF-UHFFFAOYSA-N
MW406.47 g/mol
LogP-0.86
Rot. Bonds7

About 2-(methylamino)-N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide

2-(methylamino)-N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 10525380) has the molecular formula C11H14N6O5S3 and a molecular weight of 406.47 g/mol. Its IUPAC name is 2-(methylamino)-N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID10525380
Molecular FormulaC11H14N6O5S3
Molecular Weight406.47 g/mol
Exact Mass406.02
IUPAC Name2-(methylamino)-N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
SMILESCNCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1
InChIInChI=1S/C11H14N6O5S3/c1-13-6-9(18)14-7-2-4-8(5-3-7)25(21,22)17-10-15-16-11(23-10)24(12,19)20/h2-5,13H,6H2,1H3,(H,14,18)(H,15,17)(H2,12,19,20)
InChIKeyFYYOGLGDZCDBDF-UHFFFAOYSA-N
XLogP-0.86
TPSA173.24 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

5-(4-Acetamido-3-chlorobenzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide
CID 10409391
5-(4-Acetamido-3-fluorobenzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide
CID 11047521
N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 395815
5-(4-Acetamido-3-iodobenzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide
CID 11103137
5-(4-Acetamido-3-bromobenzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide
CID 11134231
5-{4-[3-(2-Dimethylamino-ethyl)-thioureido]-benzenesulfonylamino}-[1,3,4]thiadiazole-2-sulfonic acid amide
CID 11385765
N-(4-(((5-Methyl-1,3,4-thiadiazol-2-yl)amino)sulphonyl)phenyl)acetamide
CID 791566
N-(4-(((5-Ethyl-1,3,4-thiadiazol-2-yl)amino)sulfonyl)phenyl)acetamide
CID 745569
2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 4965392
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide
CID 5108547
2-Amino-N-[4-(5-sulfamoyl-[1,3,4]thiadiazol-2-ylsulfamoyl)-phenyl]-acetamide
CID 10524550
2-[carbamimidoyl(methyl)amino]-N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 10718314

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide (CID 10525380) is 2-(methylamino)-N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide is CNCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1.
What is the InChIKey of 2-(methylamino)-N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is FYYOGLGDZCDBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O5S3/c1-13-6-9(18)14-7-2-4-8(5-3-7)25(21,22)17-10-15-16-11(23-10)24(12,19)20/h2-5,13H,6H2,1H3,(H,14,18)(H,15,17)(H2,12,19,20).
What are the key properties of 2-(methylamino)-N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide?
2-(methylamino)-N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 406.47 g/mol, XLogP of -0.86, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 10525380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).