2-[butyl-(3-sulfamoylphenyl)sulfonylamino]acetamide

C12H19N3O5S2 — CID 55702921

IUPAC2-[butyl-(3-sulfamoylphenyl)sulfonylamino]acetamide
SMILESCCCCN(CC(N)=O)S(=O)(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C12H19N3O5S2/c1-2-3-7-15(9-12(13)16)22(19,20)11-6-4-5-10(8-11)21(14,17)18/h4-6,8H,2-3,7,9H2,1H3,(H2,13,16)(H2,14,17,18)
InChIKeyKALPNCZQEPOIDE-UHFFFAOYSA-N
MW349.43 g/mol
LogP-0.39
Rot. Bonds8

About 2-[butyl-(3-sulfamoylphenyl)sulfonylamino]acetamide

2-[butyl-(3-sulfamoylphenyl)sulfonylamino]acetamide (PubChem CID 55702921) has the molecular formula C12H19N3O5S2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[butyl-(3-sulfamoylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[butyl-(3-sulfamoylphenyl)sulfonylamino]acetamide
PubChem CID55702921
Molecular FormulaC12H19N3O5S2
Molecular Weight349.43 g/mol
Exact Mass349.08
IUPAC Name2-[butyl-(3-sulfamoylphenyl)sulfonylamino]acetamide
SMILESCCCCN(CC(N)=O)S(=O)(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C12H19N3O5S2/c1-2-3-7-15(9-12(13)16)22(19,20)11-6-4-5-10(8-11)21(14,17)18/h4-6,8H,2-3,7,9H2,1H3,(H2,13,16)(H2,14,17,18)
InChIKeyKALPNCZQEPOIDE-UHFFFAOYSA-N
XLogP-0.39
TPSA140.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[propyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid
CID 61008189
3-N-ethyl-3-N-propylbenzene-1,3-disulfonamide
CID 43269074
2-[(4-bromophenyl)sulfonyl-butylamino]acetamide
CID 47204425
2-[[4-(aminomethyl)-3-methylphenyl]sulfonyl-butylamino]acetamide
CID 106919288
2-[(3-amino-5-methylphenyl)sulfonyl-butylamino]acetamide
CID 61107191
2-[butyl-(2,4-dibromophenyl)sulfonylamino]acetamide
CID 47318380
methyl 4-[(2-amino-2-oxoethyl)-butylsulfamoyl]benzoate
CID 55702922
2-[(3-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide
CID 63322009
3-N-ethyl-3-N-(2-methylpropyl)benzene-1,3-disulfonamide
CID 43274039
3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid
CID 103101549
2-[butyl-(2,5-dibromo-4-methylphenyl)sulfonylamino]acetamide
CID 80711575
3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-disulfonamide
CID 61384378

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(3-sulfamoylphenyl)sulfonylamino]acetamide?
The IUPAC name of 2-[butyl-(3-sulfamoylphenyl)sulfonylamino]acetamide (CID 55702921) is 2-[butyl-(3-sulfamoylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for 2-[butyl-(3-sulfamoylphenyl)sulfonylamino]acetamide?
The canonical SMILES for 2-[butyl-(3-sulfamoylphenyl)sulfonylamino]acetamide is CCCCN(CC(N)=O)S(=O)(=O)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 2-[butyl-(3-sulfamoylphenyl)sulfonylamino]acetamide?
The InChIKey is KALPNCZQEPOIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5S2/c1-2-3-7-15(9-12(13)16)22(19,20)11-6-4-5-10(8-11)21(14,17)18/h4-6,8H,2-3,7,9H2,1H3,(H2,13,16)(H2,14,17,18).
What are the key properties of 2-[butyl-(3-sulfamoylphenyl)sulfonylamino]acetamide?
2-[butyl-(3-sulfamoylphenyl)sulfonylamino]acetamide has a molecular weight of 349.43 g/mol, XLogP of -0.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(3-sulfamoylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 55702921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).