2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C19H24N4O6S2 — CID 24537163

IUPAC2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H24N4O6S2/c1-14-2-6-17(7-3-14)31(28,29)23-13-19(25)22-12-18(24)21-11-10-15-4-8-16(9-5-15)30(20,26)27/h2-9,23H,10-13H2,1H3,(H,21,24)(H,22,25)(H2,20,26,27)
InChIKeyMGPSLSWFTFLZRF-UHFFFAOYSA-N
MW468.56 g/mol
LogP-0.60
Rot. Bonds10

About 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 24537163) has the molecular formula C19H24N4O6S2 and a molecular weight of 468.56 g/mol. Its IUPAC name is 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID24537163
Molecular FormulaC19H24N4O6S2
Molecular Weight468.56 g/mol
Exact Mass468.11
IUPAC Name2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H24N4O6S2/c1-14-2-6-17(7-3-14)31(28,29)23-13-19(25)22-12-18(24)21-11-10-15-4-8-16(9-5-15)30(20,26)27/h2-9,23H,10-13H2,1H3,(H,21,24)(H,22,25)(H2,20,26,27)
InChIKeyMGPSLSWFTFLZRF-UHFFFAOYSA-N
XLogP-0.60
TPSA164.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 5-0.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-(methanesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 112993993
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-(4-sulfamoylphenyl)propanamide
CID 33426034
N'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108945727
3-(4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 109027623
2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]furan-3-carboxamide
CID 55826561
3-(benzenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 27538225
2-[4-(4-methylphenoxy)phenoxy]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 24632921
2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 46651326
N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 2566678
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 40778059
N-(3,4-dimethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9039784
N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]-2-(4-methylphenoxy)acetamide
CID 112507216

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 24537163) is 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is MGPSLSWFTFLZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O6S2/c1-14-2-6-17(7-3-14)31(28,29)23-13-19(25)22-12-18(24)21-11-10-15-4-8-16(9-5-15)30(20,26)27/h2-9,23H,10-13H2,1H3,(H,21,24)(H,22,25)(H2,20,26,27).
What are the key properties of 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 468.56 g/mol, XLogP of -0.60, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 24537163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).