2-(methanesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C11H17N3O5S2 — CID 112993993

IUPAC2-(methanesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCS(=O)(=O)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H17N3O5S2/c1-20(16,17)14-8-11(15)13-7-6-9-2-4-10(5-3-9)21(12,18)19/h2-5,14H,6-8H2,1H3,(H,13,15)(H2,12,18,19)
InChIKeyHUHPTZYEEVFDBG-UHFFFAOYSA-N
MW335.41 g/mol
LogP-1.46
Rot. Bonds7

About 2-(methanesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-(methanesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 112993993) has the molecular formula C11H17N3O5S2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(methanesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID112993993
Molecular FormulaC11H17N3O5S2
Molecular Weight335.41 g/mol
Exact Mass335.06
IUPAC Name2-(methanesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCS(=O)(=O)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H17N3O5S2/c1-20(16,17)14-8-11(15)13-7-6-9-2-4-10(5-3-9)21(12,18)19/h2-5,14H,6-8H2,1H3,(H,13,15)(H2,12,18,19)
InChIKeyHUHPTZYEEVFDBG-UHFFFAOYSA-N
XLogP-1.46
TPSA135.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 24537163
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002532
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 2566678
2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]furan-3-carboxamide
CID 55826561
N-pentyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002541
2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 46651326
N'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108945727
trans-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 8019903
2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 110688566
3-(benzenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 27538225

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(methanesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 112993993) is 2-(methanesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(methanesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(methanesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is CS(=O)(=O)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-(methanesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is HUHPTZYEEVFDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S2/c1-20(16,17)14-8-11(15)13-7-6-9-2-4-10(5-3-9)21(12,18)19/h2-5,14H,6-8H2,1H3,(H,13,15)(H2,12,18,19).
What are the key properties of 2-(methanesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(methanesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 335.41 g/mol, XLogP of -1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 112993993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).