2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-methylacetamide

C11H14N4O3S — CID 64851480

IUPAC2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C11H14N4O3S/c1-13-11(16)6-15-19(17,18)10-5-14-9-3-2-7(12)4-8(9)10/h2-5,14-15H,6,12H2,1H3,(H,13,16)
InChIKeyUVAPDPMWZCLLCD-UHFFFAOYSA-N
MW282.33 g/mol
LogP-0.23
Rot. Bonds4

About 2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-methylacetamide

2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-methylacetamide (PubChem CID 64851480) has the molecular formula C11H14N4O3S and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-methylacetamide
PubChem CID64851480
Molecular FormulaC11H14N4O3S
Molecular Weight282.33 g/mol
Exact Mass282.08
IUPAC Name2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C11H14N4O3S/c1-13-11(16)6-15-19(17,18)10-5-14-9-3-2-7(12)4-8(9)10/h2-5,14-15H,6,12H2,1H3,(H,13,16)
InChIKeyUVAPDPMWZCLLCD-UHFFFAOYSA-N
XLogP-0.23
TPSA117.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-propylacetamide
CID 64850893
2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-cyclopropylacetamide
CID 64850895
5-amino-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-sulfonamide
CID 65103687
5-amino-N-(3-hydroxypropyl)-1H-indole-3-sulfonamide
CID 64853230
5-[(5-amino-1H-indol-3-yl)sulfonylamino]pentanamide
CID 106233539
5-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-indole-3-sulfonamide
CID 106242702
5-amino-N-(2-ethoxyethyl)-1H-indole-3-sulfonamide
CID 64852259
4-amino-2-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 102930917
1-[(5-amino-1H-indol-3-yl)sulfonyl]-3-propylurea
CID 116645872
5-amino-N-(2-prop-2-enylsulfanylethyl)-1H-indole-3-sulfonamide
CID 106425405
5-amino-N-[(5-chlorothiophen-2-yl)methyl]-1H-indole-3-sulfonamide
CID 64852859
5-amino-N-(2-methylbut-3-yn-2-yl)-1H-indole-3-sulfonamide
CID 64852272

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-methylacetamide?
The IUPAC name of 2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-methylacetamide (CID 64851480) is 2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-methylacetamide?
The canonical SMILES for 2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-methylacetamide is CNC(=O)CNS(=O)(=O)c1c[nH]c2ccc(N)cc12.
What is the InChIKey of 2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-methylacetamide?
The InChIKey is UVAPDPMWZCLLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-13-11(16)6-15-19(17,18)10-5-14-9-3-2-7(12)4-8(9)10/h2-5,14-15H,6,12H2,1H3,(H,13,16).
What are the key properties of 2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-methylacetamide?
2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-methylacetamide has a molecular weight of 282.33 g/mol, XLogP of -0.23, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-methylacetamide is sourced from PubChem (CID 64851480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).