2-amino-N-[2-[4-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylanilino]-2-oxoethyl]acetamide

C13H17N7O6S3 — CID 10813944

IUPAC2-amino-N-[2-[4-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylanilino]-2-oxoethyl]acetamide
SMILESCn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1ccc(NC(=O)CNC(=O)CN)cc1
InChIInChI=1S/C13H17N7O6S3/c1-20-12(27-13(18-20)28(15,23)24)19-29(25,26)9-4-2-8(3-5-9)17-11(22)7-16-10(21)6-14/h2-5H,6-7,14H2,1H3,(H,16,21)(H,17,22)(H2,15,23,24)/b19-12+
InChIKeyWIXIWLDQHOAOLL-XDHOZWIPSA-N
MW463.52 g/mol
LogP-2.57
Rot. Bonds7

About 2-amino-N-[2-[4-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylanilino]-2-oxoethyl]acetamide

2-amino-N-[2-[4-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylanilino]-2-oxoethyl]acetamide (PubChem CID 10813944) has the molecular formula C13H17N7O6S3 and a molecular weight of 463.52 g/mol. Its IUPAC name is 2-amino-N-[2-[4-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylanilino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[4-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylanilino]-2-oxoethyl]acetamide
PubChem CID10813944
Molecular FormulaC13H17N7O6S3
Molecular Weight463.52 g/mol
Exact Mass463.04
IUPAC Name2-amino-N-[2-[4-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylanilino]-2-oxoethyl]acetamide
SMILESCn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1ccc(NC(=O)CNC(=O)CN)cc1
InChIInChI=1S/C13H17N7O6S3/c1-20-12(27-13(18-20)28(15,23)24)19-29(25,26)9-4-2-8(3-5-9)17-11(22)7-16-10(21)6-14/h2-5H,6-7,14H2,1H3,(H,16,21)(H,17,22)(H2,15,23,24)/b19-12+
InChIKeyWIXIWLDQHOAOLL-XDHOZWIPSA-N
XLogP-2.57
TPSA208.70 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 5-2.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 2-amino-N-[2-[4-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylanilino]-2-oxoethyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

(5E)-4-methyl-5-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazole-2-sulfonamide
CID 10807668
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[4-[(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]nonanamide
CID 54447780
(2S,3R)-3-[[4-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 177404034
(5E)-4-methyl-5-[4-(2,4,6-trimethylpyridin-1-ium-1-yl)phenyl]sulfonylimino-1,3,4-thiadiazole-2-sulfonamide perchlorate
CID 10578653
2-[5-methyl-2-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazol-3-yl]-N-(4-methylphenyl)acetamide
CID 3779859
2-hydroxyethyl 3-[(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylbenzoate
CID 74996973
2-methoxyethyl 3-[(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylbenzoate
CID 74996971
2-amino-N-[2-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]acetamide
CID 60848681
2-amino-N-[2-oxo-2-[2-(4-sulfamoylphenyl)hydrazinyl]ethyl]acetamide
CID 10804238
2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide perchlorate
CID 10625732
3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-sulfamoylphenyl)propanamide
CID 71810800
2-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide
CID 3532872

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[4-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylanilino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[4-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylanilino]-2-oxoethyl]acetamide (CID 10813944) is 2-amino-N-[2-[4-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylanilino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[4-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylanilino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[4-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylanilino]-2-oxoethyl]acetamide is Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1ccc(NC(=O)CNC(=O)CN)cc1.
What is the InChIKey of 2-amino-N-[2-[4-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylanilino]-2-oxoethyl]acetamide?
The InChIKey is WIXIWLDQHOAOLL-XDHOZWIPSA-N. The full InChI is InChI=1S/C13H17N7O6S3/c1-20-12(27-13(18-20)28(15,23)24)19-29(25,26)9-4-2-8(3-5-9)17-11(22)7-16-10(21)6-14/h2-5H,6-7,14H2,1H3,(H,16,21)(H,17,22)(H2,15,23,24)/b19-12+.
What are the key properties of 2-amino-N-[2-[4-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylanilino]-2-oxoethyl]acetamide?
2-amino-N-[2-[4-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylanilino]-2-oxoethyl]acetamide has a molecular weight of 463.52 g/mol, XLogP of -2.57, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[4-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylanilino]-2-oxoethyl]acetamide is sourced from PubChem (CID 10813944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).