2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide

C18H21N3O4S — CID 46651326

IUPAC2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
SMILESCc1ccccc1C(=O)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H21N3O4S/c1-13-4-2-3-5-16(13)18(23)21-12-17(22)20-11-10-14-6-8-15(9-7-14)26(19,24)25/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23)(H2,19,24,25)
InChIKeyZMOKQGAHUPQOLA-UHFFFAOYSA-N
MW375.45 g/mol
LogP0.73
Rot. Bonds7

About 2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide

2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide (PubChem CID 46651326) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
PubChem CID46651326
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
SMILESCc1ccccc1C(=O)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H21N3O4S/c1-13-4-2-3-5-16(13)18(23)21-12-17(22)20-11-10-14-6-8-15(9-7-14)26(19,24)25/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23)(H2,19,24,25)
InChIKeyZMOKQGAHUPQOLA-UHFFFAOYSA-N
XLogP0.73
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-iodo-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 2687936
N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 2566678
N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-methylbenzamide
CID 2681293
N-[2-[2-(4-tert-butylphenyl)ethylamino]-2-oxoethyl]-2-methylbenzamide
CID 46433649
2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]furan-3-carboxamide
CID 55826561
2-methyl-N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]benzamide
CID 51162268
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-hydroxy-3-methylbenzoate
CID 24671488
2-(methanesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 112993993
2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 24537163
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
2-(2-methyl-N-methylsulfonylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 18277882
2-(2,3-dimethylpyridin-1-ium-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 8827810

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide?
The IUPAC name of 2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide (CID 46651326) is 2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide is Cc1ccccc1C(=O)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide?
The InChIKey is ZMOKQGAHUPQOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-13-4-2-3-5-16(13)18(23)21-12-17(22)20-11-10-14-6-8-15(9-7-14)26(19,24)25/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23)(H2,19,24,25).
What are the key properties of 2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide?
2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide has a molecular weight of 375.45 g/mol, XLogP of 0.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide is sourced from PubChem (CID 46651326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).