2-[ethyl-[3-(methylsulfamoyl)phenyl]sulfonylamino]-N-methylacetamide

C12H19N3O5S2 — CID 49240452

IUPAC2-[ethyl-[3-(methylsulfamoyl)phenyl]sulfonylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)S(=O)(=O)c1cccc(S(=O)(=O)NC)c1
InChIInChI=1S/C12H19N3O5S2/c1-4-15(9-12(16)13-2)22(19,20)11-7-5-6-10(8-11)21(17,18)14-3/h5-8,14H,4,9H2,1-3H3,(H,13,16)
InChIKeyCBJNXPKROQHITG-UHFFFAOYSA-N
MW349.43 g/mol
LogP-0.65
Rot. Bonds7

About 2-[ethyl-[3-(methylsulfamoyl)phenyl]sulfonylamino]-N-methylacetamide

2-[ethyl-[3-(methylsulfamoyl)phenyl]sulfonylamino]-N-methylacetamide (PubChem CID 49240452) has the molecular formula C12H19N3O5S2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[ethyl-[3-(methylsulfamoyl)phenyl]sulfonylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[ethyl-[3-(methylsulfamoyl)phenyl]sulfonylamino]-N-methylacetamide
PubChem CID49240452
Molecular FormulaC12H19N3O5S2
Molecular Weight349.43 g/mol
Exact Mass349.08
IUPAC Name2-[ethyl-[3-(methylsulfamoyl)phenyl]sulfonylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)S(=O)(=O)c1cccc(S(=O)(=O)NC)c1
InChIInChI=1S/C12H19N3O5S2/c1-4-15(9-12(16)13-2)22(19,20)11-7-5-6-10(8-11)21(17,18)14-3/h5-8,14H,4,9H2,1-3H3,(H,13,16)
InChIKeyCBJNXPKROQHITG-UHFFFAOYSA-N
XLogP-0.65
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chloro-4-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide
CID 61053217
2-[ethyl-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylacetamide
CID 47090018
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
3-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]-2-methylbenzoic acid
CID 63742983
2-[(3-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114463
2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]-N-methylacetamide
CID 54888765
methyl 2-[ethyl-(3-hydroxyphenyl)sulfonylamino]acetate
CID 81258786
2-[benzenesulfonyl(ethyl)amino]-N-cyclopropylacetamide
CID 2985758
2-[(5,6-dichloro-3-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide
CID 64608953
2-[benzenesulfonyl(ethyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 3877866
2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide
CID 45372284
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 100798090

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-(methylsulfamoyl)phenyl]sulfonylamino]-N-methylacetamide?
The IUPAC name of 2-[ethyl-[3-(methylsulfamoyl)phenyl]sulfonylamino]-N-methylacetamide (CID 49240452) is 2-[ethyl-[3-(methylsulfamoyl)phenyl]sulfonylamino]-N-methylacetamide.
What is the SMILES notation for 2-[ethyl-[3-(methylsulfamoyl)phenyl]sulfonylamino]-N-methylacetamide?
The canonical SMILES for 2-[ethyl-[3-(methylsulfamoyl)phenyl]sulfonylamino]-N-methylacetamide is CCN(CC(=O)NC)S(=O)(=O)c1cccc(S(=O)(=O)NC)c1.
What is the InChIKey of 2-[ethyl-[3-(methylsulfamoyl)phenyl]sulfonylamino]-N-methylacetamide?
The InChIKey is CBJNXPKROQHITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5S2/c1-4-15(9-12(16)13-2)22(19,20)11-7-5-6-10(8-11)21(17,18)14-3/h5-8,14H,4,9H2,1-3H3,(H,13,16).
What are the key properties of 2-[ethyl-[3-(methylsulfamoyl)phenyl]sulfonylamino]-N-methylacetamide?
2-[ethyl-[3-(methylsulfamoyl)phenyl]sulfonylamino]-N-methylacetamide has a molecular weight of 349.43 g/mol, XLogP of -0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-(methylsulfamoyl)phenyl]sulfonylamino]-N-methylacetamide is sourced from PubChem (CID 49240452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).