2-amino-N-[2-oxo-2-[4-[(3-sulfamoylphenyl)sulfamoyl]anilino]ethyl]acetamide

C16H19N5O6S2 — CID 10813047

IUPAC2-amino-N-[2-oxo-2-[4-[(3-sulfamoylphenyl)sulfamoyl]anilino]ethyl]acetamide
SMILESNCC(=O)NCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C16H19N5O6S2/c17-9-15(22)19-10-16(23)20-11-4-6-13(7-5-11)29(26,27)21-12-2-1-3-14(8-12)28(18,24)25/h1-8,21H,9-10,17H2,(H,19,22)(H,20,23)(H2,18,24,25)
InChIKeyQVUPHJWCQZFWRF-UHFFFAOYSA-N
MW441.49 g/mol
LogP-0.85
Rot. Bonds8

About 2-amino-N-[2-oxo-2-[4-[(3-sulfamoylphenyl)sulfamoyl]anilino]ethyl]acetamide

2-amino-N-[2-oxo-2-[4-[(3-sulfamoylphenyl)sulfamoyl]anilino]ethyl]acetamide (PubChem CID 10813047) has the molecular formula C16H19N5O6S2 and a molecular weight of 441.49 g/mol. Its IUPAC name is 2-amino-N-[2-oxo-2-[4-[(3-sulfamoylphenyl)sulfamoyl]anilino]ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-oxo-2-[4-[(3-sulfamoylphenyl)sulfamoyl]anilino]ethyl]acetamide
PubChem CID10813047
Molecular FormulaC16H19N5O6S2
Molecular Weight441.49 g/mol
Exact Mass441.08
IUPAC Name2-amino-N-[2-oxo-2-[4-[(3-sulfamoylphenyl)sulfamoyl]anilino]ethyl]acetamide
SMILESNCC(=O)NCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C16H19N5O6S2/c17-9-15(22)19-10-16(23)20-11-4-6-13(7-5-11)29(26,27)21-12-2-1-3-14(8-12)28(18,24)25/h1-8,21H,9-10,17H2,(H,19,22)(H,20,23)(H2,18,24,25)
InChIKeyQVUPHJWCQZFWRF-UHFFFAOYSA-N
XLogP-0.85
TPSA190.55 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 5-0.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-oxo-2-[4-[(3-sulfamoylphenyl)sulfamoyl]anilino]ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-oxo-2-[4-[(3-sulfamoylphenyl)sulfamoyl]anilino]ethyl]acetamide (CID 10813047) is 2-amino-N-[2-oxo-2-[4-[(3-sulfamoylphenyl)sulfamoyl]anilino]ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-oxo-2-[4-[(3-sulfamoylphenyl)sulfamoyl]anilino]ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-oxo-2-[4-[(3-sulfamoylphenyl)sulfamoyl]anilino]ethyl]acetamide is NCC(=O)NCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1.
What is the InChIKey of 2-amino-N-[2-oxo-2-[4-[(3-sulfamoylphenyl)sulfamoyl]anilino]ethyl]acetamide?
The InChIKey is QVUPHJWCQZFWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O6S2/c17-9-15(22)19-10-16(23)20-11-4-6-13(7-5-11)29(26,27)21-12-2-1-3-14(8-12)28(18,24)25/h1-8,21H,9-10,17H2,(H,19,22)(H,20,23)(H2,18,24,25).
What are the key properties of 2-amino-N-[2-oxo-2-[4-[(3-sulfamoylphenyl)sulfamoyl]anilino]ethyl]acetamide?
2-amino-N-[2-oxo-2-[4-[(3-sulfamoylphenyl)sulfamoyl]anilino]ethyl]acetamide has a molecular weight of 441.49 g/mol, XLogP of -0.85, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-oxo-2-[4-[(3-sulfamoylphenyl)sulfamoyl]anilino]ethyl]acetamide is sourced from PubChem (CID 10813047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).