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

C12H15N7O6S3 — CID 10718340

IUPAC2-amino-N-[2-oxo-2-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]anilino]ethyl]acetamide
SMILESNCC(=O)NCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1
InChIInChI=1S/C12H15N7O6S3/c13-5-9(20)15-6-10(21)16-7-1-3-8(4-2-7)28(24,25)19-11-17-18-12(26-11)27(14,22)23/h1-4H,5-6,13H2,(H,15,20)(H,16,21)(H,17,19)(H2,14,22,23)
InChIKeyHWIVJEDAPLKYBT-UHFFFAOYSA-N
MW449.50 g/mol
LogP-2.00
Rot. Bonds8

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

2-amino-N-[2-oxo-2-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]anilino]ethyl]acetamide (PubChem CID 10718340) has the molecular formula C12H15N7O6S3 and a molecular weight of 449.50 g/mol. Its IUPAC name is 2-amino-N-[2-oxo-2-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]anilino]ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-oxo-2-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]anilino]ethyl]acetamide
PubChem CID10718340
Molecular FormulaC12H15N7O6S3
Molecular Weight449.50 g/mol
Exact Mass449.02
IUPAC Name2-amino-N-[2-oxo-2-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]anilino]ethyl]acetamide
SMILESNCC(=O)NCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1
InChIInChI=1S/C12H15N7O6S3/c13-5-9(20)15-6-10(21)16-7-1-3-8(4-2-7)28(24,25)19-11-17-18-12(26-11)27(14,22)23/h1-4H,5-6,13H2,(H,15,20)(H,16,21)(H,17,19)(H2,14,22,23)
InChIKeyHWIVJEDAPLKYBT-UHFFFAOYSA-N
XLogP-2.00
TPSA216.33 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 5-2.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-oxo-2-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]anilino]ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-oxo-2-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]anilino]ethyl]acetamide (CID 10718340) is 2-amino-N-[2-oxo-2-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]anilino]ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-oxo-2-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]anilino]ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-oxo-2-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]anilino]ethyl]acetamide is NCC(=O)NCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1.
What is the InChIKey of 2-amino-N-[2-oxo-2-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]anilino]ethyl]acetamide?
The InChIKey is HWIVJEDAPLKYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7O6S3/c13-5-9(20)15-6-10(21)16-7-1-3-8(4-2-7)28(24,25)19-11-17-18-12(26-11)27(14,22)23/h1-4H,5-6,13H2,(H,15,20)(H,16,21)(H,17,19)(H2,14,22,23).
What are the key properties of 2-amino-N-[2-oxo-2-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]anilino]ethyl]acetamide?
2-amino-N-[2-oxo-2-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]anilino]ethyl]acetamide has a molecular weight of 449.50 g/mol, XLogP of -2.00, 8 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-oxo-2-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]anilino]ethyl]acetamide is sourced from PubChem (CID 10718340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).