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

C12H16N6O5S3 — CID 22836851

IUPAC2-(methylamino)-N-[4-[(Z)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]acetamide
SMILESCNCC(=O)Nc1ccc(S(=O)(=O)/N=c2\sc(S(N)(=O)=O)nn2C)cc1
InChIInChI=1S/C12H16N6O5S3/c1-14-7-10(19)15-8-3-5-9(6-4-8)26(22,23)17-11-18(2)16-12(24-11)25(13,20)21/h3-6,14H,7H2,1-2H3,(H,15,19)(H2,13,20,21)/b17-11-
InChIKeyWQNDOASZRAMVMT-BOPFTXTBSA-N
MW420.50 g/mol
LogP-1.42
Rot. Bonds6

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

2-(methylamino)-N-[4-[(Z)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]acetamide (PubChem CID 22836851) has the molecular formula C12H16N6O5S3 and a molecular weight of 420.50 g/mol. Its IUPAC name is 2-(methylamino)-N-[4-[(Z)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[4-[(Z)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]acetamide
PubChem CID22836851
Molecular FormulaC12H16N6O5S3
Molecular Weight420.50 g/mol
Exact Mass420.03
IUPAC Name2-(methylamino)-N-[4-[(Z)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]acetamide
SMILESCNCC(=O)Nc1ccc(S(=O)(=O)/N=c2\sc(S(N)(=O)=O)nn2C)cc1
InChIInChI=1S/C12H16N6O5S3/c1-14-7-10(19)15-8-3-5-9(6-4-8)26(22,23)17-11-18(2)16-12(24-11)25(13,20)21/h3-6,14H,7H2,1-2H3,(H,15,19)(H2,13,20,21)/b17-11-
InChIKeyWQNDOASZRAMVMT-BOPFTXTBSA-N
XLogP-1.42
TPSA165.61 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[4-[(Z)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[4-[(Z)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]acetamide (CID 22836851) is 2-(methylamino)-N-[4-[(Z)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[4-[(Z)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[4-[(Z)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]acetamide is CNCC(=O)Nc1ccc(S(=O)(=O)/N=c2\sc(S(N)(=O)=O)nn2C)cc1.
What is the InChIKey of 2-(methylamino)-N-[4-[(Z)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]acetamide?
The InChIKey is WQNDOASZRAMVMT-BOPFTXTBSA-N. The full InChI is InChI=1S/C12H16N6O5S3/c1-14-7-10(19)15-8-3-5-9(6-4-8)26(22,23)17-11-18(2)16-12(24-11)25(13,20)21/h3-6,14H,7H2,1-2H3,(H,15,19)(H2,13,20,21)/b17-11-.
What are the key properties of 2-(methylamino)-N-[4-[(Z)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]acetamide?
2-(methylamino)-N-[4-[(Z)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]acetamide has a molecular weight of 420.50 g/mol, XLogP of -1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[4-[(Z)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]acetamide is sourced from PubChem (CID 22836851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).