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

C10H12N6O5S3 — CID 10524550

IUPAC2-amino-N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
SMILESNCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1
InChIInChI=1S/C10H12N6O5S3/c11-5-8(17)13-6-1-3-7(4-2-6)24(20,21)16-9-14-15-10(22-9)23(12,18)19/h1-4H,5,11H2,(H,13,17)(H,14,16)(H2,12,18,19)
InChIKeyMIWUDGNQEWPLJX-UHFFFAOYSA-N
MW392.44 g/mol
LogP-1.12
Rot. Bonds6

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

2-amino-N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 10524550) has the molecular formula C10H12N6O5S3 and a molecular weight of 392.44 g/mol. Its IUPAC name is 2-amino-N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID10524550
Molecular FormulaC10H12N6O5S3
Molecular Weight392.44 g/mol
Exact Mass392.00
IUPAC Name2-amino-N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
SMILESNCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1
InChIInChI=1S/C10H12N6O5S3/c11-5-8(17)13-6-1-3-7(4-2-6)24(20,21)16-9-14-15-10(22-9)23(12,18)19/h1-4H,5,11H2,(H,13,17)(H,14,16)(H2,12,18,19)
InChIKeyMIWUDGNQEWPLJX-UHFFFAOYSA-N
XLogP-1.12
TPSA187.23 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 5-1.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-amino-N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide (CID 10524550) is 2-amino-N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-amino-N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide is NCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1.
What is the InChIKey of 2-amino-N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is MIWUDGNQEWPLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O5S3/c11-5-8(17)13-6-1-3-7(4-2-6)24(20,21)16-9-14-15-10(22-9)23(12,18)19/h1-4H,5,11H2,(H,13,17)(H,14,16)(H2,12,18,19).
What are the key properties of 2-amino-N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide?
2-amino-N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 392.44 g/mol, XLogP of -1.12, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 10524550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).