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

C16H19N5O6S2 — CID 10551138

IUPAC2-amino-N-[2-oxo-2-[4-[(4-sulfamoylphenyl)sulfamoyl]anilino]ethyl]acetamide
SMILESNCC(=O)NCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H19N5O6S2/c17-9-15(22)19-10-16(23)20-11-1-7-14(8-2-11)29(26,27)21-12-3-5-13(6-4-12)28(18,24)25/h1-8,21H,9-10,17H2,(H,19,22)(H,20,23)(H2,18,24,25)
InChIKeyXSBZIZCYSOMMSS-UHFFFAOYSA-N
MW441.49 g/mol
LogP-0.85
Rot. Bonds8

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

2-amino-N-[2-oxo-2-[4-[(4-sulfamoylphenyl)sulfamoyl]anilino]ethyl]acetamide (PubChem CID 10551138) 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-[(4-sulfamoylphenyl)sulfamoyl]anilino]ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-oxo-2-[4-[(4-sulfamoylphenyl)sulfamoyl]anilino]ethyl]acetamide
PubChem CID10551138
Molecular FormulaC16H19N5O6S2
Molecular Weight441.49 g/mol
Exact Mass441.08
IUPAC Name2-amino-N-[2-oxo-2-[4-[(4-sulfamoylphenyl)sulfamoyl]anilino]ethyl]acetamide
SMILESNCC(=O)NCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H19N5O6S2/c17-9-15(22)19-10-16(23)20-11-1-7-14(8-2-11)29(26,27)21-12-3-5-13(6-4-12)28(18,24)25/h1-8,21H,9-10,17H2,(H,19,22)(H,20,23)(H2,18,24,25)
InChIKeyXSBZIZCYSOMMSS-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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Related Compounds

Thaumatin
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CID 180598
Acetamide, N-[4-[(dimethylamino)sulfonyl]phenyl]-
CID 97278
N-(4-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}phenyl)acetamide
CID 1977749
N-{4-[Methyl-(1-methyl-piperidin-4-yl)-sulfamoyl]-phenyl}-acetamide
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CID 2836734
4-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzenesulfonamide
CID 1032881
4-(Benzenesulfonyl)-1,3-dihydroquinoxalin-2-one
CID 1093237
N-(4-(((1-Methylethyl)(phenylmethyl)amino)sulfonyl)phenyl)acetamide
CID 669165
N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]acetamide
CID 720658

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-oxo-2-[4-[(4-sulfamoylphenyl)sulfamoyl]anilino]ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-oxo-2-[4-[(4-sulfamoylphenyl)sulfamoyl]anilino]ethyl]acetamide (CID 10551138) is 2-amino-N-[2-oxo-2-[4-[(4-sulfamoylphenyl)sulfamoyl]anilino]ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-oxo-2-[4-[(4-sulfamoylphenyl)sulfamoyl]anilino]ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-oxo-2-[4-[(4-sulfamoylphenyl)sulfamoyl]anilino]ethyl]acetamide is NCC(=O)NCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 2-amino-N-[2-oxo-2-[4-[(4-sulfamoylphenyl)sulfamoyl]anilino]ethyl]acetamide?
The InChIKey is XSBZIZCYSOMMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O6S2/c17-9-15(22)19-10-16(23)20-11-1-7-14(8-2-11)29(26,27)21-12-3-5-13(6-4-12)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-[(4-sulfamoylphenyl)sulfamoyl]anilino]ethyl]acetamide?
2-amino-N-[2-oxo-2-[4-[(4-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-[(4-sulfamoylphenyl)sulfamoyl]anilino]ethyl]acetamide is sourced from PubChem (CID 10551138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).