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

C11H17N3O3S — CID 10635833

IUPAC2-(methylamino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCNCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H17N3O3S/c1-13-8-11(15)14-7-6-9-2-4-10(5-3-9)18(12,16)17/h2-5,13H,6-8H2,1H3,(H,14,15)(H2,12,16,17)
InChIKeyNDKMUPXZUPLBOS-UHFFFAOYSA-N
MW271.34 g/mol
LogP-0.79
Rot. Bonds6

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

2-(methylamino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 10635833) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-(methylamino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID10635833
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-(methylamino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCNCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H17N3O3S/c1-13-8-11(15)14-7-6-9-2-4-10(5-3-9)18(12,16)17/h2-5,13H,6-8H2,1H3,(H,14,15)(H2,12,16,17)
InChIKeyNDKMUPXZUPLBOS-UHFFFAOYSA-N
XLogP-0.79
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 10635833) is 2-(methylamino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is CNCC(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-(methylamino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is NDKMUPXZUPLBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-13-8-11(15)14-7-6-9-2-4-10(5-3-9)18(12,16)17/h2-5,13H,6-8H2,1H3,(H,14,15)(H2,12,16,17).
What are the key properties of 2-(methylamino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(methylamino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 271.34 g/mol, XLogP of -0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 10635833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).